data_1tn9_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 1tn9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HE ' ' HA2' ' A' ' 10' ' ' GLY . 4.3 mmm-85 . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -81.76 -165.97 1.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.54 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -79.24 10.57 3.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 0.0 109.844 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -134.22 -93.9 0.3 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.89 . . . . 0.0 109.554 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' HA2' ' HE ' ' A' ' 6' ' ' ARG . . . -151.48 8.59 0.65 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -84.75 145.2 28.04 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -1.153 . . . . 0.0 109.37 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mm -90.64 124.84 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 110.054 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.69 157.67 18.46 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -88.78 157.66 18.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.868 -1.145 . . . . 0.0 109.03 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 17' ' ' GLU . 88.6 m -47.3 168.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.989 -1.069 . . . . 0.0 109.486 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' N ' ' CG2' ' A' ' 15' ' ' THR . . . 74.69 -41.19 1.19 Allowed Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 15' ' ' THR . 45.8 mt-10 -92.1 164.12 13.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.273 -1.134 . . . . 0.0 110.223 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 19' ' ' GLN . 27.6 t -175.99 -147.03 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.533 ' N ' ' OG ' ' A' ' 18' ' ' SER . 11.4 pt20 -150.33 129.34 12.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.855 -1.153 . . . . 0.0 109.81 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.576 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.95 -153.31 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.413 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -94.7 -20.54 19.45 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.378 -0.826 . . . . 0.0 108.793 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.55 -2.85 56.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.506 -0.746 . . . . 0.0 109.641 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -14.06 66.04 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -67.45 164.27 19.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.963 -1.316 . . . . 0.0 109.175 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -87.11 149.03 24.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.094 -1.004 . . . . 0.0 110.222 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tp -137.73 142.52 40.99 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -130.96 97.89 4.44 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -92.17 137.13 32.62 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -156.45 138.22 14.26 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.734 -1.229 . . . . 0.0 110.622 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.16 112.6 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -81.15 -179.23 7.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.228 -0.92 . . . . 0.0 109.849 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -77.41 13.77 1.13 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.791 . . . . 0.0 109.885 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -96.36 -30.04 13.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.256 -0.903 . . . . 0.0 108.73 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 27.42 6.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -154.31 124.68 3.38 Favored Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.304 -1.115 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -39.8 155.91 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.105 1.87 . . . . 0.0 112.827 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -127.89 131.56 49.4 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.36 122.71 39.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.454 -0.779 . . . . 0.0 111.322 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.64 120.99 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -100.61 156.15 17.47 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.023 -1.048 . . . . 0.0 111.096 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.8 t -175.78 148.77 0.89 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -102.08 -30.37 11.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.198 -0.938 . . . . 0.0 108.715 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 9.6 mtmm -97.12 129.61 44.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.666 -0.646 . . . . 0.0 109.875 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 tp -71.49 -31.55 67.24 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.78 158.88 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.33 58.86 1.72 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.268 -0.895 . . . . 0.0 110.793 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.5 p -148.93 -28.14 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.32 -0.862 . . . . 0.0 108.731 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.43 -155.0 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.404 -0.81 . . . . 0.0 110.062 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -135.24 -162.47 1.26 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.265 -0.897 . . . . 0.0 109.078 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -153.77 131.82 6.44 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 120.954 -1.091 . . . . 0.0 109.621 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -40.97 132.36 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.086 1.858 . . . . 0.0 112.587 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 141.88 23.98 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.384 -0.823 . . . . 0.0 109.594 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.44 -16.02 61.24 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -88.21 157.38 18.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -1.19 . . . . 0.0 109.44 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -78.94 162.24 26.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.372 -0.83 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.06 157.38 17.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -172.38 157.82 4.17 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 pt -74.29 140.98 16.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.814 -1.179 . . . . 0.0 108.023 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.83 152.07 0.39 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.481 -0.762 . . . . 0.0 109.998 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -39.6 64.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -55.29 -30.23 59.73 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.383 -0.823 . . . . 0.0 109.495 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -79.13 -40.31 31.37 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 120.98 -1.075 . . . . 0.0 108.477 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.88 -51.99 62.02 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.4 mt -53.37 -47.78 57.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.27 -28.96 20.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.747 . . . . 0.0 110.045 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.2 -36.25 61.42 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.94 -1.1 . . . . 0.0 108.762 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.72 -35.8 72.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.614 -0.679 . . . . 0.0 110.1 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.069 -1.02 . . . . 0.0 109.643 -179.155 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.697 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -81.18 -169.1 2.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -87.76 18.9 3.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.527 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 9' ' ' ARG . 3.7 mmt-85 -135.05 -88.27 0.36 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.424 -0.797 . . . . 0.0 109.63 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.98 8.2 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.565 ' NH2' ' HH ' ' A' ' 25' ' ' TYR . 69.5 mtm180 -82.66 -165.68 1.11 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.1 -1.235 . . . . 0.0 108.365 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -135.31 123.73 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.03 -1.044 . . . . 0.0 109.456 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.05 140.51 29.37 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.309 -0.87 . . . . 0.0 108.766 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' CG ' ' H ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -88.73 -154.66 0.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.996 -1.065 . . . . 0.0 109.277 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.551 ' H ' ' CG ' ' A' ' 14' ' ' LYS . 55.2 m -86.17 157.36 20.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.913 . . . . 0.0 108.954 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.84 -29.27 1.08 Allowed Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' A' ' 15' ' ' THR . 50.5 mt-10 -89.89 132.15 35.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.384 -1.068 . . . . 0.0 109.961 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 5.1 m -167.69 163.5 14.35 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.534 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 6.5 mp0 -104.68 139.48 39.44 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.218 -0.926 . . . . 0.0 110.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' CG ' ' H ' ' A' ' 21' ' ' LYS . 15.0 ttt180 -69.2 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' H ' ' CG ' ' A' ' 20' ' ' ARG . 15.1 mtpp -95.66 -19.5 19.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 0.0 109.121 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.15 -4.0 58.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -12.12 68.99 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -67.44 137.57 55.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -1.135 . . . . 0.0 108.952 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.565 ' HH ' ' NH2' ' A' ' 11' ' ' ARG . 64.2 m-85 -74.69 146.82 41.99 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.072 -1.017 . . . . 0.0 109.161 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.81 142.14 29.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.149 -0.97 . . . . 0.0 109.038 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 49.8 t80 -110.54 104.44 13.16 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -97.78 132.39 43.44 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.485 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 27.4 p90 -155.9 127.46 7.28 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.055 -1.028 . . . . 0.0 109.475 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.61 135.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.546 ' C ' ' H ' ' A' ' 33' ' ' PHE . 12.7 p30 -80.55 164.64 22.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.41 -0.806 . . . . 0.0 109.387 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 t -63.69 6.56 0.15 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.783 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' H ' ' C ' ' A' ' 31' ' ' ASP . 27.9 m-85 -98.55 -28.5 13.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 108.697 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.49 35.01 3.69 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -131.64 108.64 14.45 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.645 -0.914 . . . . 0.0 109.484 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -42.49 144.96 1.08 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.127 1.885 . . . . 0.0 112.201 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -131.71 113.45 13.58 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 110.025 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -93.12 141.85 27.95 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 122.07 0.938 . . . . 0.0 111.672 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -139.56 114.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.02 167.89 9.95 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-O 122.221 1.01 . . . . 0.0 112.16 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.5 170.85 1.02 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -114.81 -33.83 5.34 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.035 -1.041 . . . . 0.0 109.802 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.76 117.91 30.89 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.0 109.317 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.55 -28.54 69.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.861 -1.149 . . . . 0.0 108.086 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.7 m -138.43 144.8 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.76 66.77 0.06 Allowed 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.157 -0.964 . . . . 0.0 110.16 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.2 m -150.27 -34.13 0.17 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.28 -161.49 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.591 -0.693 . . . . 0.0 109.22 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -135.88 -160.52 1.06 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.211 -0.93 . . . . 0.0 109.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -155.07 119.83 2.56 Favored Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -40.88 133.36 2.64 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.735 1.624 . . . . 0.0 112.381 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.33 156.62 0.57 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.537 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.96 -20.82 33.9 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -88.73 158.46 18.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.199 -1.177 . . . . 0.0 109.285 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 mmp_? -78.35 137.83 38.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.268 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.35 153.67 42.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.22 160.19 15.81 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.301 -0.874 . . . . 0.0 108.786 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 pt -70.78 -177.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' GLU . 7.6 t -86.68 146.91 26.11 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.947 -1.096 . . . . 0.0 109.512 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.45 -33.63 4.12 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.506 0.67 . . . . 0.0 109.29 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -64.63 -31.23 72.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.743 . . . . 0.0 109.45 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' SER . 45.5 mm-40 -76.03 -41.29 51.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.969 -1.082 . . . . 0.0 108.245 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -62.25 -51.44 67.71 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -49.72 -38.48 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.86 72.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.482 -0.761 . . . . 0.0 110.508 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.99 -32.59 67.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.062 -1.024 . . . . 0.0 109.328 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.32 -41.5 85.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 108.905 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.486 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -81.86 -177.31 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.009 . . . . 0.0 109.533 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.25 -1.33 5.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 109.817 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -106.86 -90.44 0.43 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -0.781 . . . . 0.0 109.142 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.7 16.91 0.09 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -84.88 -178.72 6.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -1.102 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -114.35 116.82 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.568 ' CD1' HE22 ' A' ' 19' ' ' GLN . 7.6 mt -86.27 141.24 29.41 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.15 169.18 12.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.74 -1.225 . . . . 0.0 109.855 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 17' ' ' GLU . 2.6 m -53.27 159.0 1.44 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.314 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.7 -38.67 1.93 Allowed Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' C ' ' HG ' ' A' ' 18' ' ' SER . 40.4 mt-10 -91.48 145.06 24.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.387 -1.067 . . . . 0.0 109.878 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.501 ' HG ' ' C ' ' A' ' 17' ' ' GLU . 14.6 m -166.83 -152.88 0.14 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.416 -0.802 . . . . 0.0 108.951 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.568 HE22 ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -146.87 171.57 15.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.047 -1.033 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -118.94 -162.49 0.91 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.68 -0.637 . . . . 0.0 109.297 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -71.6 -26.92 62.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.848 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -82.12 1.33 36.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 -5.35 50.93 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.615 ' NH2' ' CE2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -68.69 148.12 50.86 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.101 -1.235 . . . . 0.0 108.815 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -76.82 153.23 35.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.779 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 tp -143.86 121.83 12.07 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 47.1 t80 -102.84 104.01 14.24 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -100.3 133.99 43.91 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 33.1 p90 -156.94 135.27 11.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 0.0 110.113 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -72.44 118.99 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.522 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.7 m-20 -81.49 170.5 15.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.139 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.9 m -69.45 14.06 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.537 -0.727 . . . . 0.0 109.732 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.51 ' H ' ' C ' ' A' ' 31' ' ' ASP . 25.6 m-85 -96.95 -28.68 14.08 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.78 31.39 5.75 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -151.81 120.81 3.4 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -1.121 . . . . 0.0 109.267 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.41 151.83 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.05 1.833 . . . . 0.0 112.719 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -128.94 137.28 51.31 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -109.98 130.99 55.45 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.463 -0.773 . . . . 0.0 110.987 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.27 112.38 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.88 164.54 11.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.223 -0.923 . . . . 0.0 111.02 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -176.53 -172.49 0.46 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CE2' ' NH2' ' A' ' 24' ' ' ARG . 74.7 m95 -133.21 -42.95 0.87 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.232 -0.917 . . . . 0.0 109.555 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 11.7 mtpp -90.61 124.78 35.32 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.29 -0.881 . . . . 0.0 109.756 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.75 -37.79 87.31 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -136.03 157.47 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 65.39 0.23 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.156 -0.965 . . . . 0.0 109.774 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' VAL . 12.1 m -151.72 -31.48 0.16 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.544 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 8.0 m-20 -69.59 -158.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 108.824 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.519 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.3 OUTLIER -134.63 -163.91 1.44 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.105 -0.997 . . . . 0.0 109.225 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -155.83 117.38 2.28 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.44 138.24 7.65 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.764 1.642 . . . . 0.0 112.436 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.93 156.71 1.94 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.699 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.3 52.86 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.7 mptt -87.83 157.31 19.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -1.15 . . . . 0.0 109.353 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -78.52 113.76 16.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.84 . . . . 0.0 109.335 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -50.37 155.65 0.99 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.205 -0.934 . . . . 0.0 109.374 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.25 168.11 3.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.117 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.3 pt -71.14 -153.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' GLU . 5.5 p -105.07 143.4 33.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.1 tp -46.93 -33.42 4.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -67.73 -29.79 69.12 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.511 -0.743 . . . . 0.0 109.247 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' SER . 29.5 mt-10 -77.36 -37.87 51.36 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -65.09 -52.5 55.18 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.72 -40.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.26 64.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.618 -0.676 . . . . 0.0 110.288 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.93 -31.81 64.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.883 -1.136 . . . . 0.0 109.391 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.26 -28.53 67.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 109.323 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 0.0 109.06 179.767 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 121.296 0.569 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 20.2 p-10 -84.3 -172.49 4.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.416 -0.802 . . . . 0.0 109.722 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.666 HD21 ' NE2' ' A' ' 19' ' ' GLN . 10.4 p30 -90.1 4.07 51.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.381 -0.825 . . . . 0.0 109.682 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -104.47 -61.9 1.39 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.0 -2.78 0.07 OUTLIER Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.709 -1.234 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -161.39 0.35 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.912 -1.346 . . . . 0.0 108.594 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -130.43 122.04 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.252 -0.905 . . . . 0.0 109.437 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.88 135.81 33.54 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' GLY . 8.4 tptt -87.96 169.69 11.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 109.817 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.2 m -53.49 88.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.295 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 161.62 -54.57 0.32 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -87.78 142.27 27.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.125 -1.22 . . . . 0.0 110.028 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -145.57 -136.76 0.09 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.399 -0.813 . . . . 0.0 109.445 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.666 ' NE2' HD21 ' A' ' 8' ' ' ASN . 12.3 tt0 -160.07 150.48 18.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.146 -0.971 . . . . 0.0 109.691 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.507 HH11 ' CD2' ' A' ' 26' ' ' LEU . 5.7 tpt180 -108.01 -162.25 0.82 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.475 -0.765 . . . . 0.0 109.844 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -23.95 58.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.922 . . . . 0.0 109.094 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.03 0.58 35.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.041 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.64 -14.82 22.55 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -67.57 162.94 22.33 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.1 -1.235 . . . . 0.0 109.2 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -80.41 156.58 26.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 109.937 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD2' HH11 ' A' ' 20' ' ' ARG . 6.6 tp -136.69 116.91 13.49 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.622 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 31.5 t80 -109.29 98.07 7.56 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -96.52 134.09 40.16 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.622 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 34.9 p90 -156.42 147.51 22.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.044 -1.035 . . . . 0.0 110.132 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mm -78.53 130.57 36.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 33' ' ' PHE . 35.8 p30 -80.51 163.68 23.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.029 . . . . 0.0 109.82 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -64.38 5.57 0.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 109.906 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.519 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.5 m-85 -99.29 -29.35 12.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.25 -0.906 . . . . 0.0 108.632 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' OE2' ' A' ' 35' ' ' GLU . . . 106.54 33.61 3.31 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 34' ' ' GLY . 58.0 mm-40 -138.92 119.68 9.8 Favored Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.488 -1.007 . . . . 0.0 109.292 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.08 154.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.86 1.707 . . . . 0.0 112.382 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -137.9 117.7 13.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.36 -0.838 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -91.36 133.44 35.44 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.3 -0.875 . . . . 0.0 110.539 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.14 119.21 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.17 161.45 14.25 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.234 -0.916 . . . . 0.0 111.353 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.04 164.47 6.19 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -109.49 -35.43 6.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.185 -0.947 . . . . 0.0 109.184 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.0 mtmm -97.53 130.09 44.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.532 -0.73 . . . . 0.0 109.897 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.37 -35.26 77.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.38 155.97 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.05 67.51 0.65 Allowed 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.934 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -149.36 -37.83 0.16 Allowed 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.32 -162.25 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -132.06 -160.44 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.9 m -155.78 135.64 8.3 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.289 -0.882 . . . . 0.0 109.028 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 77.4 Cg_exo -42.56 144.13 1.37 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.822 1.681 . . . . 0.0 112.458 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.6 139.09 57.95 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.24 -0.913 . . . . 0.0 109.68 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.05 3.07 68.19 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 51' ' ' PRO . 2.2 mmpm? -88.29 157.89 18.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.037 -1.272 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -80.17 109.4 14.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.135 -0.978 . . . . 0.0 108.643 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -46.55 149.39 0.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -168.01 154.4 7.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 pt -74.14 144.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 120.771 -1.205 . . . . 0.0 108.499 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 p -46.7 148.18 1.08 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -49.05 -49.15 42.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.1 -1.0 . . . . 0.0 108.901 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -49.18 -30.92 7.53 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.492 -0.755 . . . . 0.0 109.87 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -78.61 -31.78 47.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.708 -1.245 . . . . 0.0 107.985 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.0 mttm -68.54 -57.0 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mt -47.12 -43.12 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.06 66.04 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.37 -0.831 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -74.71 -34.58 62.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 0.0 109.665 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.21 -31.3 70.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.355 -0.841 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.852 . . . . 0.0 109.176 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -82.81 -154.69 0.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.438 -0.789 . . . . 0.0 109.707 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -89.81 -12.93 37.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.268 -0.895 . . . . 0.0 109.837 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -103.78 -98.8 0.31 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.338 -0.851 . . . . 0.0 109.661 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.72 11.81 0.62 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' NH2' ' HH ' ' A' ' 25' ' ' TYR . 69.6 mtm180 -82.37 -164.4 0.83 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -1.136 . . . . 0.0 108.825 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -134.3 126.72 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.132 -0.98 . . . . 0.0 109.197 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.9 mt -89.31 133.06 34.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 109.174 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.33 157.95 17.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.125 -0.984 . . . . 0.0 109.471 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.0 m -48.25 111.87 0.51 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.95 -51.23 0.77 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' C ' ' HG ' ' A' ' 18' ' ' SER . 59.4 mt-10 -89.24 158.15 17.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.319 -1.106 . . . . 0.0 109.726 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.483 ' HG ' ' C ' ' A' ' 17' ' ' GLU . 3.1 m -160.45 -148.88 0.17 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.318 -0.864 . . . . 0.0 109.655 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.534 HE22 ' C ' ' A' ' 24' ' ' ARG . 6.9 tp-100 -154.27 127.69 8.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.319 -0.863 . . . . 0.0 108.87 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.539 ' NH1' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -82.79 -154.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.217 -0.927 . . . . 0.0 109.616 -179.345 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -95.63 -19.43 19.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.308 -0.87 . . . . 0.0 109.691 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.37 3.38 21.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.288 -0.882 . . . . 0.0 110.222 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 86.81 -25.3 7.62 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.534 ' C ' HE22 ' A' ' 19' ' ' GLN . 10.1 ptp180 -69.4 156.59 38.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.348 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' HH ' ' NH2' ' A' ' 11' ' ' ARG . 69.8 m-85 -74.25 155.65 38.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.068 -1.02 . . . . 0.0 109.413 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 tp -132.97 116.78 16.84 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -117.68 108.45 15.43 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.634 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 ttmp? -101.84 143.66 31.47 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -156.17 135.28 12.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.012 . . . . 0.0 109.933 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.9 mm -70.95 119.71 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.253 -0.904 . . . . 0.0 108.998 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 33' ' ' PHE . 10.1 p30 -83.2 173.2 11.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.251 -0.905 . . . . 0.0 110.067 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.9 m -77.95 15.57 0.86 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.415 -0.803 . . . . 0.0 109.548 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ASP . 16.6 m-85 -95.44 -31.17 13.5 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.43 29.07 4.07 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -159.01 129.14 3.42 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.085 -1.244 . . . . 0.0 109.815 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -38.89 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.339 2.026 . . . . 0.0 112.997 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -136.18 122.28 20.27 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.541 -0.724 . . . . 0.0 109.055 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 8.2 m-85 -87.0 139.81 30.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.322 -0.861 . . . . 0.0 111.172 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 t -135.33 112.83 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -100.77 150.42 22.81 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -164.13 153.73 14.21 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -103.72 -29.08 11.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.332 -0.855 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -99.16 120.84 40.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.452 -0.78 . . . . 0.0 109.838 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 tp -75.13 -16.26 60.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.58 154.61 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.92 56.39 0.97 Allowed 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.121 -0.987 . . . . 0.0 110.748 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 p -148.59 -26.05 0.32 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.304 -0.873 . . . . 0.0 109.173 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -67.95 -161.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.228 -0.92 . . . . 0.0 109.983 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -129.62 -157.6 0.83 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.382 -0.823 . . . . 0.0 109.031 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.1 m -153.15 129.06 5.2 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.006 -1.059 . . . . 0.0 109.336 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -41.11 132.06 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.979 1.786 . . . . 0.0 112.503 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.84 137.08 26.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.323 -0.861 . . . . 0.0 109.585 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.84 51.2 Favored Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -87.23 155.76 19.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 109.418 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -80.42 140.89 35.77 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 156.58 39.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.239 -0.913 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.74 158.76 15.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.266 -0.896 . . . . 0.0 108.981 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.17 159.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -60.4 159.22 10.53 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.068 -1.053 . . . . 0.0 108.717 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -31.56 71.14 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -57.51 -34.27 68.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -76.37 -48.92 18.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 108.402 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -55.73 -40.02 71.9 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.09 -31.02 50.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.89 84.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.842 . . . . 0.0 111.089 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.62 -28.29 60.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.79 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.92 -40.17 94.65 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.78 -1.2 . . . . 0.0 108.24 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 C--N 1.304 -1.38 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.674 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.704 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.302 0.572 . . . . 0.0 109.572 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -83.59 -168.27 2.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.326 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.38 26.08 1.3 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.401 -0.812 . . . . 0.0 109.26 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -134.59 -96.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.459 -0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.71 1.28 0.1 OUTLIER Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 -172.45 4.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.013 -1.286 . . . . 0.0 108.258 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mm -125.86 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.419 -0.801 . . . . 0.0 109.093 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -86.08 133.67 33.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.223 -0.923 . . . . 0.0 108.819 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG3' ' H ' ' A' ' 15' ' ' THR . 2.0 tptp -89.05 170.86 10.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.18 -0.95 . . . . 0.0 109.428 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.412 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 15.9 m -49.98 149.13 2.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.78 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.79 -33.15 3.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -90.73 146.37 24.04 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.119 -1.224 . . . . 0.0 109.981 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p -173.62 155.75 2.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.416 -0.803 . . . . 0.0 109.104 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -98.08 141.25 31.25 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.08 -1.012 . . . . 0.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 20' ' ' ARG . 12.4 ttt-85 -86.42 164.96 16.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.479 -0.763 . . . . 0.0 109.988 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 13.2 mtpt -54.51 -20.64 8.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.491 -0.756 . . . . 0.0 109.884 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -81.56 -0.52 42.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 0.0 110.117 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.83 -23.79 9.97 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -67.06 158.07 31.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -1.223 . . . . 0.0 109.154 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -77.33 153.76 33.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.376 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 tt -142.56 136.37 29.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 109.461 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.8 113.03 14.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.503 -0.748 . . . . 0.0 109.149 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -100.36 139.37 36.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 35.0 p90 -156.09 138.17 14.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.896 -1.127 . . . . 0.0 109.958 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.14 124.99 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.558 -0.714 . . . . 0.0 109.598 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -82.45 -169.83 2.64 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 109.595 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -80.14 9.67 5.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.0 109.839 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -99.12 -30.91 12.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 108.708 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.52 11.15 31.76 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -118.88 118.01 33.4 Favored Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.612 -0.934 . . . . 0.0 108.954 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.8 150.01 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.865 1.71 . . . . 0.0 112.641 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.51 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 7.1 tt0 -129.34 118.0 21.54 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -84.74 148.88 26.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.341 -0.849 . . . . 0.0 111.24 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.85 130.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.18 150.54 27.1 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.185 -0.947 . . . . 0.0 111.452 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.21 148.05 3.89 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -104.21 -32.62 9.04 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.068 -1.02 . . . . 0.0 109.182 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.53 119.88 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.291 -0.88 . . . . 0.0 109.974 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -69.6 -23.69 63.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.027 -1.046 . . . . 0.0 108.479 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.0 m -143.77 152.13 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.43 65.23 0.43 Allowed 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.119 -0.988 . . . . 0.0 109.814 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 5.4 m -151.47 -33.37 0.15 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.01 -162.84 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.474 -0.767 . . . . 0.0 109.54 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -136.34 -164.14 1.52 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.304 -0.873 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 m -156.18 119.47 2.32 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.412 -0.805 . . . . 0.0 109.014 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.47 142.84 1.71 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 121.712 1.608 . . . . 0.0 112.43 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.46 162.88 0.7 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.89 -16.39 32.42 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -86.82 158.62 19.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -1.181 . . . . 0.0 109.44 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.1 mmt-85 -79.13 115.47 18.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 0.0 108.941 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -48.16 144.36 3.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.22 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.82 160.33 28.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.172 -0.955 . . . . 0.0 109.695 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.4 pt -72.34 -151.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.42 ' HG ' ' H ' ' A' ' 62' ' ' GLU . 12.3 p -105.22 149.14 26.22 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.0 tp -48.28 -38.94 20.05 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.507 -0.746 . . . . 0.0 109.432 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -62.88 -32.71 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.82 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.42 ' H ' ' HG ' ' A' ' 59' ' ' SER . 8.5 mm-40 -74.31 -35.31 63.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.596 -1.315 . . . . 0.0 107.848 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -68.94 -60.75 2.15 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.5 mt -45.24 -42.24 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.87 69.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.578 -0.701 . . . . 0.0 110.471 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -72.35 -32.06 66.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.028 -1.045 . . . . 0.0 109.513 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.17 -35.69 78.44 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.416 -0.803 . . . . 0.0 109.045 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.384 -0.822 . . . . 0.0 109.26 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 121.314 0.578 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -82.53 -165.94 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.345 -0.847 . . . . 0.0 109.457 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -77.54 -5.47 50.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.137 -0.977 . . . . 0.0 110.072 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -104.34 -101.02 0.31 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 109.387 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.12 11.97 0.19 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -84.4 -170.44 3.1 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.309 -1.112 . . . . 0.0 108.933 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -126.46 100.68 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.428 -0.795 . . . . 0.0 109.935 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.539 ' H ' ' CD2' ' A' ' 13' ' ' LEU . 1.4 pt? -85.35 162.97 18.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -89.0 163.18 15.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.688 -1.257 . . . . 0.0 110.556 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.5 m -48.87 -52.79 22.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.547 -0.72 . . . . 0.0 109.776 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.37 -34.19 3.36 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.8 159.69 19.03 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.442 -1.034 . . . . 0.0 109.729 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -167.49 179.48 4.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.332 -0.855 . . . . 0.0 109.668 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -134.98 143.5 46.87 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 15.6 ptm180 -109.03 -166.85 1.15 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.416 -0.803 . . . . 0.0 110.738 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.6 mtpm? -64.53 -23.12 67.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.533 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 24' ' ' ARG . 30.3 m-20 -81.09 -0.91 42.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 109.551 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 -13.29 3.63 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 22' ' ' ASP . 4.4 ptm180 -70.51 147.3 49.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.327 -1.102 . . . . 0.0 109.951 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -81.09 147.52 30.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.436 -0.79 . . . . 0.0 108.996 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 pp -146.4 135.08 22.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -0.856 . . . . 0.0 108.894 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.626 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 37.5 t80 -102.13 103.97 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.616 ' HZ2' ' CB ' ' A' ' 36' ' ' PRO . 39.3 tttm -102.19 133.98 46.18 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 29.5 p90 -154.93 152.66 29.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 110.524 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mm -80.78 108.05 13.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -81.46 167.82 18.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.166 -0.959 . . . . 0.0 109.788 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.05 20.97 0.08 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 0.0 109.878 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.525 ' H ' ' C ' ' A' ' 31' ' ' ASP . 35.3 m-85 -95.36 -39.85 9.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 108.937 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' OE2' ' A' ' 35' ' ' GLU . . . 125.82 15.31 2.93 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE2' ' N ' ' A' ' 34' ' ' GLY . 2.0 pm0 -160.61 137.74 6.74 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 120.821 -1.399 . . . . 0.0 110.132 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.616 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 93.6 Cg_exo -40.79 165.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.415 2.077 . . . . 0.0 113.005 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -138.58 125.14 20.69 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -93.92 134.78 35.94 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.934 0.873 . . . . 0.0 112.27 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.7 t -135.41 109.96 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -99.24 169.07 9.63 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.002 -1.061 . . . . 0.0 112.141 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.33 -151.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -149.65 -32.94 0.2 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.847 -1.158 . . . . 0.0 108.441 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 13.2 mtpp -99.53 127.82 45.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.532 -0.73 . . . . 0.0 110.072 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.3 -32.33 66.48 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -139.86 156.78 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' OG ' ' A' ' 59' ' ' SER . . . -70.17 67.74 0.31 Allowed 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.89 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' VAL . 17.6 m -152.12 -35.3 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 10.2 m-20 -67.44 -160.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.655 . . . . 0.0 109.474 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.571 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -135.05 -155.72 0.67 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.207 -0.933 . . . . 0.0 109.4 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 50' ' ' VAL . 14.1 m -152.8 122.52 3.35 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.195 -0.941 . . . . 0.0 108.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -44.81 135.52 10.04 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.565 1.51 . . . . 0.0 112.161 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.54 144.5 10.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.416 -0.802 . . . . 0.0 109.67 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.89 -18.2 57.93 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 1.3 mptm? -87.21 161.16 18.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -1.168 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -80.04 134.11 36.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.322 -0.861 . . . . 0.0 109.381 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -63.47 149.91 44.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.12 -0.987 . . . . 0.0 109.259 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.39 164.62 19.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.103 -0.998 . . . . 0.0 109.641 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 pt -72.23 -144.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -111.81 144.78 40.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.459 -0.775 . . . . 0.0 108.987 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 tp -52.26 -12.4 0.25 Allowed 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 59' ' ' SER . 9.2 mmt180 -80.93 -36.28 31.26 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -74.67 -42.93 57.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -57.3 -43.09 82.9 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.06 -50.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -26.13 38.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.492 -0.755 . . . . 0.0 110.442 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -73.22 -32.22 64.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.081 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.6 -46.87 71.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.129 -0.982 . . . . 0.0 108.821 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.782 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 10' ' ' GLY . 12.3 mtm180 . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.556 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 5.5 p-10 -84.19 -147.09 0.09 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 110.573 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.611 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 88.9 m-20 -89.98 -12.9 37.32 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.71 -0.619 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.556 ' H ' ' CG ' ' A' ' 7' ' ' ASP . 21.6 mmt180 -104.92 -96.99 0.33 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.395 -0.815 . . . . 0.0 109.553 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.525 ' O ' ' NH1' ' A' ' 6' ' ' ARG . . . -157.4 13.49 0.29 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -84.34 168.67 15.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.154 -1.203 . . . . 0.0 109.278 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mm -102.68 124.86 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.19 -0.944 . . . . 0.0 109.887 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 mt -88.64 140.13 29.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 108.42 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -88.93 156.36 18.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.122 -0.987 . . . . 0.0 109.067 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -51.92 123.77 11.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.133 -0.979 . . . . 0.0 109.068 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.81 -27.63 10.2 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -91.01 158.0 16.94 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.354 -1.086 . . . . 0.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p -176.9 -164.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.611 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 2.6 pt20 -142.69 128.02 18.82 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.222 -0.923 . . . . 0.0 109.371 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -69.45 -149.5 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 109.443 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -91.31 -22.02 20.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.318 -0.864 . . . . 0.0 109.825 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.49 -1.24 45.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.215 -0.928 . . . . 0.0 109.943 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.33 -14.64 57.25 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -67.79 143.16 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -1.19 . . . . 0.0 109.251 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -75.22 153.02 38.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.152 -0.967 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -145.9 135.45 23.17 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.099 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.84 110.38 18.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.534 -0.729 . . . . 0.0 109.26 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -93.42 140.25 29.78 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.506 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 14.6 p90 -154.39 137.73 15.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 109.513 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -77.36 125.47 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.0 109.262 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -81.79 -166.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.918 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 p -79.72 -0.96 36.39 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.393 -0.817 . . . . 0.0 110.029 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -93.54 -30.15 15.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.263 -0.898 . . . . 0.0 109.117 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.71 35.14 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -109.29 115.23 56.76 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.648 -0.913 . . . . 0.0 109.551 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -43.49 135.41 6.61 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.944 1.762 . . . . 0.0 112.366 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 36.8 tt0 -116.55 133.42 56.03 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.578 -0.701 . . . . 0.0 109.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.28 147.89 23.31 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 122.035 0.921 . . . . 0.0 111.03 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.95 110.81 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.76 160.63 14.14 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.022 -1.049 . . . . 0.0 111.537 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.8 p -174.54 159.7 2.99 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -101.0 -36.35 9.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.073 -1.017 . . . . 0.0 109.769 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -92.1 145.6 24.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.078 -1.013 . . . . 0.0 110.419 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.3 tp -86.07 -25.27 25.95 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 m -145.8 150.13 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.67 66.71 0.74 Allowed 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.835 -1.165 . . . . 0.0 110.211 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.9 m -149.54 -32.46 0.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -65.79 -148.76 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -140.58 -163.05 1.45 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.016 -1.053 . . . . 0.0 109.542 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -156.15 123.08 2.67 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.424 -0.798 . . . . 0.0 109.141 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.86 137.34 4.35 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.806 1.67 . . . . 0.0 112.321 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.38 8.14 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.329 -0.857 . . . . 0.0 109.53 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.91 -16.95 57.24 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 4.0 mptt -87.25 151.56 23.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -1.126 . . . . 0.0 108.995 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.42 126.23 30.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.139 -0.976 . . . . 0.0 108.451 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -56.56 145.1 29.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.383 -0.823 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.93 158.52 40.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.8 pt -73.57 168.85 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.22 155.07 41.01 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.974 -1.079 . . . . 0.0 108.441 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -37.05 67.23 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.409 -0.917 . . . . 0.0 108.76 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -56.8 -31.08 64.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -179.396 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.77 -42.84 57.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.52 -1.363 . . . . 0.0 108.106 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ILE . 47.1 mttm -63.15 -63.52 1.17 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.44 ' O ' ' OE1' ' A' ' 68' ' ' GLN . 15.0 mt -38.61 -45.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 CA-C-O 121.314 0.578 . . . . 0.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.06 71.83 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.46 -28.56 61.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.806 -1.183 . . . . 0.0 109.564 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -35.68 80.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 109.06 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 64' ' ' ILE . 12.1 mp0 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 5.0 tpp180 . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -82.11 -157.82 0.22 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -0.921 . . . . 0.0 109.536 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -90.94 -8.73 48.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -105.23 -95.31 0.34 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.81 12.53 0.38 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' ' CD ' ' A' ' 6' ' ' ARG . 66.5 mtm180 -83.88 -162.86 0.69 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -1.127 . . . . 0.0 109.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -134.9 123.23 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.271 -0.893 . . . . 0.0 109.266 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.61 148.99 23.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -0.929 . . . . 0.0 108.846 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.75 169.54 11.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.09 -1.006 . . . . 0.0 109.181 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.428 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 6.8 m -62.31 105.63 0.64 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.86 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.78 -39.06 1.61 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mp0 -89.36 144.28 26.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.238 -1.154 . . . . 0.0 110.254 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -160.33 -167.74 1.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.05 149.53 38.35 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.071 -1.018 . . . . 0.0 109.658 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -93.1 -151.15 0.29 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.881 . . . . 0.0 109.439 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -80.79 -21.38 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.301 -0.874 . . . . 0.0 109.669 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -80.59 -1.44 42.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.65 -15.56 13.69 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 120.069 -1.062 . . . . 0.0 110.484 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.53 160.79 26.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.863 -1.375 . . . . 0.0 108.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -82.99 153.32 25.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -0.905 . . . . 0.0 110.544 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -140.96 115.43 9.45 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CE2' ' CD2' ' A' ' 29' ' ' TYR . 31.3 t80 -104.0 101.73 11.5 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -95.46 133.4 39.47 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 20.7 p90 -155.48 137.68 14.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.898 -1.126 . . . . 0.0 109.963 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.9 mm -79.34 121.13 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.524 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -79.58 179.41 7.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.0 109.848 -179.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -68.56 8.63 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' A' ' 31' ' ' ASP . 15.6 m-85 -99.87 -27.86 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.24 -0.32 54.16 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.28 116.05 61.98 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.467 -1.02 . . . . 0.0 109.408 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -43.1 157.98 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.764 1.643 . . . . 0.0 112.42 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -135.33 136.9 41.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.513 -0.742 . . . . 0.0 109.008 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -107.27 133.87 51.19 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.373 -0.829 . . . . 0.0 111.245 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.87 120.61 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -100.99 163.46 12.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.167 -0.958 . . . . 0.0 110.857 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.94 138.34 0.12 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -88.22 -36.57 16.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.022 -1.049 . . . . 0.0 108.369 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -92.89 135.44 34.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.709 -0.62 . . . . 0.0 109.72 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.9 tp -85.0 -25.19 27.87 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.082 -1.011 . . . . 0.0 108.598 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.55 ' N ' ' OG ' ' A' ' 59' ' ' SER . 2.0 m -142.11 148.91 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.59 63.06 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.228 -0.92 . . . . 0.0 110.684 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.78 -31.5 0.16 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.99 -162.41 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.752 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -139.08 -160.1 1.03 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.279 -0.888 . . . . 0.0 109.224 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.3 m -154.08 131.13 5.93 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -38.15 131.42 0.93 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.904 1.736 . . . . 0.0 112.284 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.29 145.83 4.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.614 -0.679 . . . . 0.0 109.765 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 -23.5 33.69 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.54 157.08 19.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.058 -1.26 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -78.28 137.46 38.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.349 -0.844 . . . . 0.0 109.732 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.45 160.93 29.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.239 -0.913 . . . . 0.0 109.11 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 155.69 16.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 108.983 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.8 pt -70.93 141.98 16.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -51.61 153.0 2.49 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.53 -179.176 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' CD2' ' CD1' ' A' ' 64' ' ' ILE . 3.0 tt -49.36 -42.52 42.25 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.929 -0.482 . . . . 0.0 110.022 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -52.0 -30.19 24.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 110.482 -179.147 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.29 -38.11 60.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.548 -1.345 . . . . 0.0 108.565 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -69.96 -41.84 73.97 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 1.3 mt -63.15 -45.39 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.9 -27.43 42.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.48 -0.763 . . . . 0.0 110.106 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -73.1 -34.82 66.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.93 -1.107 . . . . 0.0 108.495 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.98 -42.56 76.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.207 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 121.281 0.562 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 9' ' ' ARG . 42.5 p-10 -82.99 -166.37 1.32 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 109.709 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.657 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.0 OUTLIER -73.54 17.1 0.16 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 109.673 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 7' ' ' ASP . 3.6 mmp_? -133.99 -101.62 0.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.345 -0.847 . . . . 0.0 109.305 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.26 11.45 0.89 Allowed Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' CB ' ' A' ' 44' ' ' LEU . 5.7 mtp180 -83.6 161.98 20.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -1.064 . . . . 0.0 109.14 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.66 120.16 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.303 -0.873 . . . . 0.0 110.238 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.22 142.1 28.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.291 -0.88 . . . . 0.0 108.67 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -89.44 151.77 21.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.471 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -48.61 104.79 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.132 -0.98 . . . . 0.0 109.457 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.99 -44.9 0.83 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -90.91 152.43 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.428 -1.043 . . . . 0.0 109.436 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -160.73 -164.83 1.27 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.889 . . . . 0.0 109.532 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.52 HE22 ' CG ' ' A' ' 8' ' ' ASN . 30.0 tt0 -147.44 126.35 12.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.274 -0.891 . . . . 0.0 109.442 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.04 -163.71 0.52 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.305 -0.872 . . . . 0.0 109.98 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -78.74 -18.11 54.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.545 -0.722 . . . . 0.0 109.792 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 9.6 m-20 -80.35 -6.65 58.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.15 -0.969 . . . . 0.0 109.919 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.44 -23.2 23.27 Favored Glycine 0 N--CA 1.496 2.653 0 C-N-CA 120.139 -1.029 . . . . 0.0 110.799 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NH1' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -67.93 153.7 43.17 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.753 -1.439 . . . . 0.0 108.879 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -79.47 159.02 27.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.306 -0.871 . . . . 0.0 109.495 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -142.47 118.28 10.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.441 -0.787 . . . . 0.0 109.033 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 48.2 t80 -104.51 103.92 13.69 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -99.41 134.13 42.72 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 43.3 p90 -156.83 148.09 22.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.98 -1.075 . . . . 0.0 110.341 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.65 116.37 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 33' ' ' PHE . 10.1 p30 -79.86 173.81 12.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.199 -0.938 . . . . 0.0 109.644 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.1 m -68.63 13.62 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.307 -0.871 . . . . 0.0 110.114 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.7 m-85 -98.87 -31.68 11.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 0.0 108.813 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.05 26.62 6.94 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -143.56 118.79 6.28 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.502 -0.999 . . . . 0.0 108.684 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -42.35 154.61 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.81 1.673 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.1 tt0 -130.49 135.0 47.52 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -100.88 134.84 43.26 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.69 0.757 . . . . 0.0 111.247 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.4 t -136.98 115.84 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -102.2 160.71 14.29 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.202 -0.936 . . . . 0.0 111.45 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -170.38 160.8 7.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.619 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 77.7 m95 -106.52 -29.63 9.55 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.116 -0.99 . . . . 0.0 108.746 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -101.34 138.46 38.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.52 -0.737 . . . . 0.0 110.04 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CB ' ' NH2' ' A' ' 11' ' ' ARG . 34.0 tp -84.7 -23.72 29.25 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -145.03 157.33 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 61.35 0.92 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.055 -1.028 . . . . 0.0 111.003 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 p -147.04 -33.39 0.29 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -67.79 -169.12 0.11 Allowed 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.447 -0.783 . . . . 0.0 108.933 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.3 -160.63 1.08 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.197 -0.939 . . . . 0.0 109.303 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.9 m -153.5 134.54 8.35 Favored Pre-proline 0 N--CA 1.496 1.825 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -37.51 148.9 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.843 1.696 . . . . 0.0 112.926 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.1 127.1 29.72 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.949 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.14 -5.02 41.56 Favored Glycine 0 N--CA 1.501 3.027 0 O-C-N 121.216 -0.928 . . . . 0.0 110.788 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.619 ' NZ ' ' CE2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -85.92 164.06 17.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.852 -1.381 . . . . 0.0 108.874 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -79.12 112.78 16.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.003 -1.06 . . . . 0.0 108.388 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.52 159.13 6.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 0.0 110.296 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.72 164.27 8.05 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 pt -70.63 -163.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 p -96.77 156.02 16.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.04 -39.94 60.35 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -31.3 69.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.87 . . . . 0.0 110.322 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -75.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.478 -1.389 . . . . 0.0 108.318 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -66.23 -52.52 46.94 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mt -52.04 -40.38 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.61 -35.29 63.25 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.64 -34.48 67.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.015 -1.053 . . . . 0.0 109.25 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.95 -21.75 63.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.51 -0.744 . . . . 0.0 109.159 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.433 -0.792 . . . . 0.0 109.116 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -82.72 -155.5 0.16 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.116 -0.99 . . . . 0.0 109.655 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.651 ' N ' HE22 ' A' ' 19' ' ' GLN . 13.1 m120 -77.69 -6.3 53.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.378 -0.826 . . . . 0.0 109.495 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.557 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -107.29 -110.87 0.3 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.404 -0.81 . . . . 0.0 109.09 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.12 7.55 1.19 Allowed Glycine 0 N--CA 1.497 2.726 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -86.42 151.07 23.84 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.638 -0.919 . . . . 0.0 109.604 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mm -87.32 135.62 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.268 -0.895 . . . . 0.0 110.767 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.96 166.26 13.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -90.08 149.53 22.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.969 -1.082 . . . . 0.0 108.795 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -45.33 150.7 0.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.044 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.01 -36.22 3.42 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -88.22 156.45 19.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.251 -1.147 . . . . 0.0 110.239 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 p -173.01 -164.14 0.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.651 HE22 ' N ' ' A' ' 8' ' ' ASN . 3.9 pt20 -141.13 138.32 33.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.114 -0.991 . . . . 0.0 108.928 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 13.8 ttp180 -77.99 -151.08 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.949 . . . . 0.0 109.787 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -89.72 -20.66 23.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.444 -0.785 . . . . 0.0 109.834 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 20' ' ' ARG . 4.4 m-20 -80.55 3.54 21.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 110.173 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.42 -16.5 18.01 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -68.46 156.22 38.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -1.196 . . . . 0.0 109.14 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -77.23 152.75 34.57 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 tp -141.58 130.73 23.39 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.4 t80 -131.99 95.14 3.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.576 -0.702 . . . . 0.0 109.124 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -101.48 140.2 36.1 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 55.6 p90 -153.45 152.38 30.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.852 -1.155 . . . . 0.0 110.315 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.417 ' C ' ' H ' ' A' ' 32' ' ' SER . 3.7 mm -77.76 119.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 10.2 p-10 -80.25 38.06 0.4 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.201 -0.937 . . . . 0.0 110.24 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 30' ' ' ILE . 7.9 t 57.3 3.69 0.17 Allowed 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.728 -0.608 . . . . 0.0 110.502 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 31' ' ' ASP . 14.8 m-85 -97.1 -29.82 13.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.111 -0.993 . . . . 0.0 108.725 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.86 32.8 1.98 Allowed Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -157.55 109.76 1.83 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.392 -1.064 . . . . 0.0 108.812 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -42.73 158.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.091 1.861 . . . . 0.0 113.005 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -130.15 98.54 4.77 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -72.17 142.86 49.07 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.989 0.9 . . . . 0.0 112.026 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.19 119.71 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -103.16 142.27 34.43 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.052 -1.03 . . . . 0.0 111.308 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -163.39 162.11 24.73 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -109.5 -35.57 6.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.108 -0.995 . . . . 0.0 108.666 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.7 mtmt -96.37 127.92 42.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 110.105 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.7 tp -74.99 -17.23 60.56 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -145.1 153.03 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.32 63.56 1.96 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.182 -0.949 . . . . 0.0 109.492 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -150.3 -34.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -163.28 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.429 -0.794 . . . . 0.0 109.3 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -128.72 -161.12 1.08 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.363 -0.836 . . . . 0.0 109.483 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -156.86 121.75 2.38 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.449 -0.782 . . . . 0.0 109.222 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -43.53 143.47 2.55 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.842 1.694 . . . . 0.0 112.507 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.18 154.79 7.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.472 -0.767 . . . . 0.0 109.682 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.06 -15.29 56.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.2 mptt -87.47 153.08 21.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.115 -1.226 . . . . 0.0 109.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -80.7 146.54 31.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 108.735 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -75.69 158.9 31.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.17 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.514 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -175.27 153.93 1.64 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.7 pt -72.37 153.82 7.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 O-C-N 120.808 -1.183 . . . . 0.0 108.064 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 p -48.15 170.16 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.186 -0.946 . . . . 0.0 110.096 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 tp -68.6 -42.94 77.44 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.33 -0.856 . . . . 0.0 109.704 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -76.7 -41.91 43.52 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 120.644 -1.285 . . . . 0.0 107.814 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -66.33 -62.33 1.53 Allowed 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 mt -42.49 -42.73 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.18 -40.19 67.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.21 -0.931 . . . . 0.0 110.321 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -73.95 -35.63 64.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.941 -1.1 . . . . 0.0 109.512 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.4 -30.0 69.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.487 1.425 0 O-C-N 121.197 -0.94 . . . . 0.0 108.532 179.36 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 121.314 0.578 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 15.1 p-10 -81.76 176.45 9.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.315 -0.866 . . . . 0.0 109.396 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.484 ' ND2' ' OE1' ' A' ' 19' ' ' GLN . 58.7 m-20 -73.65 33.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.208 -0.932 . . . . 0.0 109.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.519 ' H ' ' C ' ' A' ' 7' ' ' ASP . 6.6 mmt180 -135.3 -56.92 0.8 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.397 -0.814 . . . . 0.0 109.291 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.51 -0.15 0.18 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -81.47 -164.84 0.83 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.288 . . . . 0.0 109.391 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mm -126.06 121.75 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.447 -0.783 . . . . 0.0 109.742 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 mt -90.39 139.52 30.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.16 -0.963 . . . . 0.0 108.867 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' THR . 11.8 mmtp -89.06 164.86 14.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.107 -0.996 . . . . 0.0 108.935 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 17' ' ' GLU . 2.7 t -48.83 172.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.983 -1.073 . . . . 0.0 108.87 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.76 -42.2 0.34 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 15' ' ' THR . 52.3 mt-10 -91.18 148.65 22.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -1.148 . . . . 0.0 109.778 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -165.36 -138.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.847 . . . . 0.0 109.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.484 ' OE1' ' ND2' ' A' ' 8' ' ' ASN . 3.4 tt0 -157.76 132.54 8.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.0 109.695 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.541 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 7.2 ttp180 -75.6 -152.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.828 0.823 . . . . 0.0 110.453 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.6 mtpm? -95.56 -25.06 16.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.772 -0.58 . . . . 0.0 109.916 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.541 ' OD2' ' NH2' ' A' ' 20' ' ' ARG . 70.8 m-20 -82.6 10.98 6.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.197 -0.939 . . . . 0.0 109.904 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 82.27 -18.06 15.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -67.36 155.67 38.36 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.96 -1.318 . . . . 0.0 109.018 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -73.99 145.14 44.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.034 -1.041 . . . . 0.0 109.77 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -124.9 124.97 43.2 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 38.9 t80 -115.39 97.04 5.94 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -95.01 127.86 41.4 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 21.4 p90 -155.86 153.0 29.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 110.205 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mm -91.94 123.27 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.527 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -79.39 169.78 17.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.032 -1.043 . . . . 0.0 109.976 -179.348 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -65.57 8.37 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.539 -0.726 . . . . 0.0 110.159 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.6 m-85 -98.08 -29.2 13.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.105 -0.997 . . . . 0.0 108.804 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 28.43 6.75 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -137.0 114.39 9.95 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -43.62 137.37 6.09 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.731 1.621 . . . . 0.0 112.267 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.527 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 7.5 tt0 -121.8 134.37 54.91 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.576 -0.703 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.84 135.55 43.2 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.567 0.698 . . . . 0.0 110.903 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.58 112.07 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -101.43 153.44 19.68 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.197 -0.94 . . . . 0.0 111.362 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.34 169.27 14.24 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -113.87 -36.83 4.69 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.191 -0.943 . . . . 0.0 109.72 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -91.63 120.08 32.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.31 -33.38 75.83 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -137.84 157.14 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 66.14 0.35 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.771 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 9.2 m -152.43 -30.95 0.15 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -163.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.471 -0.768 . . . . 0.0 109.559 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -130.77 -172.07 2.72 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.483 -0.76 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 m -156.61 134.18 6.88 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.289 -0.882 . . . . 0.0 109.563 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -40.01 133.73 1.88 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.827 1.684 . . . . 0.0 112.025 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -32.13 64.78 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.205 -0.935 . . . . 0.0 110.652 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.9 -7.73 86.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -92.09 162.44 14.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.076 -1.25 . . . . 0.0 109.282 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -79.29 117.07 19.94 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.435 -0.79 . . . . 0.0 109.86 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -54.9 151.16 9.01 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.247 -0.908 . . . . 0.0 108.949 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.05 167.4 18.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.144 -0.973 . . . . 0.0 109.358 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 pt -70.87 -162.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.434 ' HG ' ' H ' ' A' ' 62' ' ' GLU . 3.8 p -100.25 145.13 28.46 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' SER . 17.3 tp -45.89 -38.15 7.11 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -59.3 -30.86 68.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.434 ' H ' ' HG ' ' A' ' 59' ' ' SER . 61.1 mm-40 -77.36 -40.72 42.93 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.131 . . . . 0.0 108.556 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -64.78 -40.62 95.55 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mt -61.21 -45.71 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.52 -26.81 55.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 110.282 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.97 -36.96 67.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.972 -1.08 . . . . 0.0 109.287 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.31 -27.19 65.16 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.433 -0.792 . . . . 0.0 109.371 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.456 -0.778 . . . . 0.0 110.325 -179.268 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.67 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 24.1 p-10 -82.41 -171.28 3.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.299 -0.875 . . . . 0.0 109.323 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -85.73 15.38 4.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.556 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.03 -88.04 0.55 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.527 -0.733 . . . . 0.0 109.45 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.18 -2.26 0.06 OUTLIER Glycine 0 N--CA 1.493 2.456 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -170.26 2.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.82 -1.4 . . . . 0.0 108.275 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mm -129.62 130.1 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.324 -0.86 . . . . 0.0 109.362 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.41 141.27 28.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 109.303 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -89.21 175.61 7.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.139 -0.976 . . . . 0.0 108.685 179.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -67.54 57.28 0.06 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.071 -1.018 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -169.26 -34.86 0.02 OUTLIER Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' O ' ' OG ' ' A' ' 18' ' ' SER . 49.3 mt-10 -90.73 150.86 21.46 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.379 -1.071 . . . . 0.0 110.102 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 6.0 m -166.99 -154.76 0.17 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.1 pm0 -155.31 155.58 33.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.982 -1.074 . . . . 0.0 110.081 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -90.87 -162.87 0.95 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.423 -0.798 . . . . 0.0 109.699 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -76.11 -21.12 57.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.571 -0.706 . . . . 0.0 109.764 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.03 -1.46 44.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.256 -0.903 . . . . 0.0 109.915 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.11 -9.98 64.79 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.41 157.12 34.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -1.199 . . . . 0.0 108.544 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -79.88 153.28 29.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.055 -1.028 . . . . 0.0 109.928 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -141.87 115.45 9.05 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -107.94 106.56 16.87 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 tttp -96.91 139.49 32.86 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.531 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 23.8 p90 -154.14 129.8 10.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.95 -1.094 . . . . 0.0 109.76 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.81 117.58 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.527 -0.733 . . . . 0.0 109.114 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 33' ' ' PHE . 8.2 p30 -80.14 171.39 15.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 t -66.7 11.11 0.1 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.419 -0.8 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.543 ' H ' ' C ' ' A' ' 31' ' ' ASP . 32.3 m-85 -98.7 -29.51 12.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.768 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.35 30.39 5.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.82 116.97 5.36 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.415 -1.05 . . . . 0.0 109.127 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -42.33 137.81 3.46 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.87 1.713 . . . . 0.0 112.515 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.531 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 40.6 tt0 -113.71 142.63 45.79 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.54 -0.725 . . . . 0.0 109.147 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 11.5 m-85 -101.22 134.22 44.6 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.283 -0.886 . . . . 0.0 111.267 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -133.12 118.79 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -102.57 162.47 12.9 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.088 -1.007 . . . . 0.0 111.94 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -177.54 154.06 0.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -106.99 -30.18 8.99 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.17 -0.956 . . . . 0.0 108.661 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -96.24 118.7 33.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.478 -0.764 . . . . 0.0 110.022 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.61 -22.74 66.7 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.13 158.41 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.207 -0.933 . . . . 0.0 108.762 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.6 60.56 2.17 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.383 -0.823 . . . . 0.0 111.01 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -144.99 -38.95 0.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -163.48 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -141.07 162.49 35.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.045 -1.035 . . . . 0.0 109.169 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 m -83.66 130.3 56.31 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.662 -0.649 . . . . 0.0 109.441 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.26 138.39 1.26 Allowed 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.813 1.675 . . . . 0.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.98 137.46 21.17 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.247 -0.908 . . . . 0.0 109.503 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.25 -22.08 42.72 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.5 mptt -88.45 161.65 16.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.253 -1.145 . . . . 0.0 109.151 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.501 HH11 ' HG2' ' A' ' 55' ' ' ARG . 2.9 mtt-85 -80.85 177.34 9.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.799 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.55 158.73 18.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.883 . . . . 0.0 109.772 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.24 145.41 0.77 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 109.187 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.77 152.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -52.12 156.75 1.52 Allowed 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.179 -0.951 . . . . 0.0 108.876 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -36.96 77.94 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.181 -0.949 . . . . 0.0 108.584 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -55.59 -28.73 56.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.326 -0.859 . . . . 0.0 110.033 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.21 -44.66 36.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.556 -1.34 . . . . 0.0 108.128 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -61.6 -59.02 5.84 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 mt -42.92 -44.45 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.414 0.626 . . . . 0.0 109.674 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.13 65.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.246 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -74.0 -38.41 64.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.85 -21.2 63.38 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.543 -0.723 . . . . 0.0 109.725 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.889 . . . . 0.0 110.467 -179.091 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 48.7 p-10 -81.7 -162.86 0.57 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.097 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -87.76 -10.29 51.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.617 -0.677 . . . . 0.0 109.53 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -102.07 -91.01 0.34 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.275 -0.891 . . . . 0.0 109.38 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.9 11.96 0.07 OUTLIER Glycine 0 N--CA 1.491 2.333 0 C-N-CA 118.871 -1.633 . . . . 0.0 111.199 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 10.1 ptp180 -83.8 -163.71 0.81 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.602 -1.528 . . . . 0.0 108.436 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mm -137.45 120.03 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.161 -0.962 . . . . 0.0 108.616 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' H ' ' CD1' ' A' ' 13' ' ' LEU . 1.6 mp -87.46 163.83 16.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.032 -1.043 . . . . 0.0 108.678 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -90.96 162.01 14.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.111 -0.993 . . . . 0.0 108.793 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 16' ' ' GLY . 24.1 m -47.95 161.5 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.994 -1.066 . . . . 0.0 109.236 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.441 ' N ' ' CG2' ' A' ' 15' ' ' THR . . . 87.65 -49.06 3.81 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' OE1' ' CD1' ' A' ' 27' ' ' TYR . 2.7 mm-40 -88.47 154.15 20.59 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.169 -1.195 . . . . 0.0 110.008 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 p 179.53 148.44 0.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.569 -0.707 . . . . 0.0 109.108 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -82.79 150.71 26.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.693 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.472 HH21 ' CG ' ' A' ' 22' ' ' ASP . 21.5 ttp180 -95.92 -141.35 0.27 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.27 -0.894 . . . . 0.0 109.58 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -94.03 -27.03 16.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.441 -0.787 . . . . 0.0 109.971 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.472 ' CG ' HH21 ' A' ' 20' ' ' ARG . 3.2 m-20 -83.49 10.47 8.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.166 -0.959 . . . . 0.0 109.946 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.53 -8.04 22.03 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 22' ' ' ASP . 97.3 mtt180 -69.23 147.2 51.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -1.063 . . . . 0.0 109.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -76.47 132.61 39.71 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 177.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tt -123.9 139.58 53.82 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.45 -0.782 . . . . 0.0 109.548 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD1' ' OE1' ' A' ' 17' ' ' GLU . 22.9 t80 -134.45 103.7 5.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -92.79 138.09 31.8 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.442 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 30.8 p90 -156.37 127.44 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.877 -1.14 . . . . 0.0 110.171 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.31 119.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 33' ' ' PHE . 9.9 p30 -79.15 169.19 18.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.976 . . . . 0.0 109.917 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.28 8.1 0.17 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.873 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.9 m-85 -97.99 -28.87 13.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.5 31.92 5.35 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -139.85 114.79 7.9 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.997 . . . . 0.0 109.517 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.44 132.08 9.5 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.756 1.637 . . . . 0.0 112.119 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -114.91 146.79 40.77 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.595 -0.691 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -110.25 142.12 42.28 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.456 -0.778 . . . . 0.0 110.465 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 113.89 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -102.79 144.95 30.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.865 . . . . 0.0 110.775 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.45 154.19 9.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -97.02 -39.52 9.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.98 -1.075 . . . . 0.0 109.028 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -93.42 132.93 37.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.76 -0.588 . . . . 0.0 110.377 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 tp -77.87 -30.53 50.88 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.8 m -138.59 151.88 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.62 69.08 0.1 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.095 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 45' ' ' VAL . 29.2 m -148.59 -43.59 0.15 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -167.55 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -137.67 156.5 47.96 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.919 -1.113 . . . . 0.0 109.707 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.31 135.34 41.61 Favored Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.527 -0.733 . . . . 0.0 109.428 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -43.2 132.99 6.44 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.68 1.587 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.71 134.34 41.88 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.322 -0.861 . . . . 0.0 109.846 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.48 -16.96 56.12 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 110.019 -1.233 . . . . 0.0 110.019 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.4 mptt -88.79 171.25 10.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.139 -1.212 . . . . 0.0 109.683 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -77.79 166.51 22.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -85.47 149.17 25.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.38 -0.825 . . . . 0.0 109.426 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -167.21 153.48 8.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.858 . . . . 0.0 109.246 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 pt -71.21 -157.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -101.67 146.81 27.22 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.38 -47.84 18.71 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -54.13 -31.22 51.64 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.815 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -77.32 -38.28 50.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.854 -1.154 . . . . 0.0 108.356 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -64.21 -41.3 97.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.94 -41.03 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.08 62.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.525 -0.734 . . . . 0.0 109.94 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.35 -38.72 68.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.065 -1.022 . . . . 0.0 108.704 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.77 -24.42 64.42 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.632 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 121.373 0.606 . . . . 0.0 109.846 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -84.0 -161.75 0.57 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.328 -0.858 . . . . 0.0 109.506 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.631 ' N ' HE22 ' A' ' 19' ' ' GLN . 6.7 p30 -82.8 16.67 2.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 109.505 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.58 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -136.41 -104.22 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.386 -0.821 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.17 3.66 1.49 Allowed Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -83.72 150.01 26.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -1.11 . . . . 0.0 109.131 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -96.89 126.64 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.206 -0.934 . . . . 0.0 110.259 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.3 mt -92.15 147.21 23.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.284 -0.885 . . . . 0.0 108.935 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -90.01 156.29 18.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.04 -1.037 . . . . 0.0 108.868 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 m -47.64 147.78 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.002 -1.061 . . . . 0.0 109.364 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.08 -43.17 1.88 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 2.7 mp0 -91.56 155.59 18.26 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.253 -1.145 . . . . 0.0 109.934 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -168.41 -162.8 0.42 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.147 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.631 HE22 ' N ' ' A' ' 8' ' ' ASN . 3.5 pt20 -140.11 143.19 36.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.204 -0.935 . . . . 0.0 109.369 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.534 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.1 OUTLIER -85.43 -144.24 0.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.38 -0.825 . . . . 0.0 110.311 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HZ1' ' CB ' ' A' ' 21' ' ' LYS . 3.3 mtpm? -95.41 -23.15 17.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.724 -0.61 . . . . 0.0 109.68 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.92 0.32 44.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.909 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.53 -17.95 41.05 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -67.55 155.29 39.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.278 . . . . 0.0 109.081 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.19 147.91 36.19 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.221 -0.924 . . . . 0.0 109.821 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.57 115.71 12.47 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -105.56 107.91 19.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -100.99 138.39 38.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 34.5 p90 -155.0 142.15 19.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.907 -1.121 . . . . 0.0 109.984 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.0 mm -77.83 122.1 31.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.6 m-20 -77.56 171.39 14.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.942 . . . . 0.0 109.499 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.6 m -68.16 10.74 0.2 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -0.801 . . . . 0.0 109.817 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.512 ' H ' ' C ' ' A' ' 31' ' ' ASP . 42.3 m-85 -100.05 -32.36 10.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.245 -0.91 . . . . 0.0 108.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 32.13 3.8 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.64 116.22 6.92 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.358 -1.083 . . . . 0.0 109.07 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -43.08 154.16 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.813 1.675 . . . . 0.0 112.159 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.7 tt0 -134.96 140.39 45.67 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.471 -0.768 . . . . 0.0 109.33 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -102.06 134.3 45.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.4 -0.812 . . . . 0.0 111.416 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.19 118.42 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 176.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -100.83 157.38 16.76 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.995 -1.066 . . . . 0.0 111.479 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 t -176.27 165.7 2.79 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -115.43 -32.39 5.61 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.227 -0.92 . . . . 0.0 108.959 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 58' ' ' ILE . 11.4 mtmm -95.26 131.11 41.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.522 -0.736 . . . . 0.0 110.266 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.08 -32.48 65.03 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.558 ' N ' ' OG ' ' A' ' 59' ' ' SER . 3.0 m -137.62 158.36 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.96 65.82 1.12 Allowed 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 m -150.02 -36.21 0.16 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.45 -161.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 49' ' ' ARG . 2.0 mmt-85 -136.03 -160.02 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 109.188 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -156.91 118.03 2.11 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.43 144.1 5.06 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.86 1.707 . . . . 0.0 112.639 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.21 158.48 1.56 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.528 -0.733 . . . . 0.0 109.682 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -18.95 40.2 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.0 mptt -87.96 150.0 23.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.297 -1.119 . . . . 0.0 109.021 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -80.06 121.27 25.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.177 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -51.34 154.88 1.58 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.24 -0.912 . . . . 0.0 109.846 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -174.89 160.79 2.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.382 -0.824 . . . . 0.0 108.97 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.519 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 10.8 pt -72.43 -176.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.558 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -85.5 144.97 27.63 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.997 -1.065 . . . . 0.0 108.439 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.02 -35.47 11.1 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 0.0 108.781 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -56.36 -28.82 60.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.521 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -77.69 -48.51 16.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.888 -1.133 . . . . 0.0 108.712 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -58.53 -45.28 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.9 mt -56.63 -43.33 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.61 -31.36 46.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.454 -0.779 . . . . 0.0 110.097 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -74.2 -38.32 63.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.041 -1.037 . . . . 0.0 109.276 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.89 -23.07 63.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.592 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 109.968 -179.386 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 23.4 p-10 -82.94 -171.37 3.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.211 -0.931 . . . . 0.0 109.733 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.565 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 19.8 m120 -64.0 -10.12 19.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 109.861 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -104.25 -97.36 0.32 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.312 -0.868 . . . . 0.0 109.463 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.68 14.9 0.24 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 51.4 mtm180 -82.74 -176.25 6.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 0.0 108.849 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -117.9 118.65 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.394 -0.816 . . . . 0.0 109.973 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -88.77 142.51 27.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -89.13 161.57 16.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.028 -1.045 . . . . 0.0 109.017 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.454 ' C ' ' H ' ' A' ' 17' ' ' GLU . 25.9 m -47.75 161.23 0.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.995 -1.066 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' CG2' ' A' ' 15' ' ' THR . . . 77.4 -36.44 1.56 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 15' ' ' THR . 89.6 mt-10 -90.37 147.79 23.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.339 -1.095 . . . . 0.0 110.429 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t -166.71 -154.24 0.17 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.094 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.565 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 3.1 pt20 -144.36 134.32 23.95 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.947 -1.096 . . . . 0.0 110.263 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -83.69 154.81 23.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.235 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.2 mtpm? -43.67 -18.78 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.443 -0.786 . . . . 0.0 109.974 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' ARG . 87.9 m-20 -81.23 -2.48 48.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.849 . . . . 0.0 109.863 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.37 -21.52 12.97 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -67.9 159.51 30.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.097 -1.237 . . . . 0.0 109.029 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 58.6 m-85 -80.61 151.91 28.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.128 -0.983 . . . . 0.0 109.628 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 tt -139.21 112.09 7.9 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -102.96 103.02 13.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.814 0.816 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -94.58 135.55 35.91 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 14.1 p90 -155.55 113.12 3.33 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -0.966 . . . . 0.0 109.397 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.2 140.84 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.519 -0.738 . . . . 0.0 109.152 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 33' ' ' PHE . 14.8 p30 -84.31 169.0 15.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.513 -0.742 . . . . 0.0 109.972 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 m -62.09 2.23 0.25 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 0.0 109.677 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.521 ' H ' ' C ' ' A' ' 31' ' ' ASP . 41.9 m-85 -97.52 -31.69 12.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.68 11.65 22.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -100.66 107.82 50.63 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -44.98 122.53 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.061 1.841 . . . . 0.0 112.58 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -105.21 134.44 48.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.447 -0.783 . . . . 0.0 109.005 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.96 141.39 44.48 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-O 121.724 0.773 . . . . 0.0 111.234 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -137.85 119.26 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -102.1 160.38 14.56 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.074 -1.016 . . . . 0.0 110.997 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -176.35 165.16 2.71 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -114.12 -34.94 5.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.216 -0.927 . . . . 0.0 108.554 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 18.2 mtmt -94.04 130.47 40.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.544 -0.722 . . . . 0.0 109.744 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.38 -27.79 59.24 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -139.13 150.78 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.21 65.15 0.39 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.22 -0.925 . . . . 0.0 110.034 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -149.69 -35.0 0.17 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -66.48 -160.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -134.17 -170.23 2.48 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.157 -0.964 . . . . 0.0 109.39 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.94 135.8 8.34 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 121.33 -0.857 . . . . 0.0 109.141 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.486 ' CB ' ' HZ1' ' A' ' 54' ' ' LYS . 91.4 Cg_exo -40.73 130.88 2.73 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 121.699 1.6 . . . . 0.0 111.834 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.44 58.16 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.196 -0.94 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.72 89.65 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HZ1' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -92.36 168.71 11.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.006 -1.291 . . . . 0.0 109.931 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.42 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -79.0 143.63 35.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.641 -0.662 . . . . 0.0 109.31 -179.526 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.39 151.87 26.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 108.88 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -173.15 156.36 3.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.143 -0.973 . . . . 0.0 109.374 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.7 pt -73.83 145.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -49.28 146.86 3.45 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.178 -0.951 . . . . 0.0 109.483 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -32.46 19.04 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.591 -0.693 . . . . 0.0 109.445 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -56.6 -31.98 64.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.039 -1.038 . . . . 0.0 109.686 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -77.11 -46.12 24.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.997 -1.064 . . . . 0.0 108.654 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -59.02 -44.02 91.67 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.71 -40.74 90.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.98 -30.11 45.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.474 -0.766 . . . . 0.0 110.175 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -74.16 -40.37 62.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.997 -1.064 . . . . 0.0 109.008 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.55 -26.93 66.55 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 . . . . . 0 N--CA 1.497 1.917 0 CA-C-O 121.344 0.593 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD2' ' CZ ' ' A' ' 11' ' ' ARG . 21.7 p-10 -83.18 -157.78 0.25 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.604 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 34.8 m120 -87.51 19.09 3.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.21 -0.932 . . . . 0.0 110.15 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -135.13 -87.71 0.36 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.606 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.17 12.65 0.1 OUTLIER Glycine 0 N--CA 1.489 2.199 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.114 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' CZ ' ' OD2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -82.09 -171.4 3.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.312 . . . . 0.0 108.527 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -129.75 109.22 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.487 -0.758 . . . . 0.0 109.894 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.0 mt -88.86 131.97 34.87 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.262 -0.899 . . . . 0.0 108.652 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 172.21 9.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.06 -1.025 . . . . 0.0 109.068 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 17' ' ' GLU . 85.6 m -47.86 157.44 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 109.639 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.09 -40.0 1.66 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 15' ' ' THR . 17.8 mp0 -88.51 132.03 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.121 -1.223 . . . . 0.0 109.521 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -156.98 -156.39 0.6 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.0 109.13 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.604 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 12.0 pt20 -153.71 146.64 24.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.462 HH21 ' CG ' ' A' ' 22' ' ' ASP . 13.1 ttp180 -76.97 -149.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.707 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -95.19 -27.34 15.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.763 . . . . 0.0 109.754 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' A' ' 20' ' ' ARG . 13.5 m-20 -83.81 15.88 3.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.226 -0.921 . . . . 0.0 109.608 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.05 4.91 86.72 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' CG ' ' CH2' ' A' ' 42' ' ' TRP . 93.7 mtt180 -68.76 126.28 29.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.419 -1.048 . . . . 0.0 109.796 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -74.54 135.94 42.15 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -140.9 152.08 44.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.028 . . . . 0.0 110.152 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -131.7 115.47 16.07 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -98.75 142.4 30.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.701 -0.624 . . . . 0.0 109.377 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 7.8 p90 -153.26 132.62 12.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.969 -1.082 . . . . 0.0 109.375 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mm -77.66 123.38 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.542 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 1.1 m-20 -77.62 -177.26 4.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.532 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -72.44 0.65 9.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 0.0 110.243 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -94.57 -26.91 16.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.282 -0.886 . . . . 0.0 109.239 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.05 17.48 22.65 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.83 111.47 41.1 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.719 -0.871 . . . . 0.0 109.566 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.74 146.72 2.13 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.932 1.755 . . . . 0.0 112.296 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.542 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 23.0 tt0 -129.48 132.16 46.86 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -97.27 150.48 20.89 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.112 -0.992 . . . . 0.0 111.732 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.37 101.72 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -96.54 169.86 9.61 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.087 -1.008 . . . . 0.0 111.83 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 1.1 p -173.85 -158.27 0.09 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.452 ' N ' ' OG ' ' A' ' 41' ' ' SER . 56.5 m95 -140.8 -32.68 0.56 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.928 -1.107 . . . . 0.0 108.894 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -98.77 130.96 45.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.368 -0.833 . . . . 0.0 110.366 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' C ' ' OG ' ' A' ' 59' ' ' SER . 59.2 tp -69.59 -39.78 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' N ' ' OG ' ' A' ' 59' ' ' SER . 2.4 m -135.56 157.17 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.88 66.83 0.1 Allowed 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 45' ' ' VAL . 42.5 m -150.59 -37.53 0.14 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.41 -160.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -140.7 -157.74 0.79 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.019 -1.051 . . . . 0.0 109.981 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 50' ' ' VAL . 23.7 m -154.09 123.86 3.27 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -39.8 128.98 1.98 Allowed 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.825 1.683 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 147.12 2.55 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.688 -0.632 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.33 -21.16 47.67 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -87.07 166.33 15.11 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -1.178 . . . . 0.0 109.795 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -78.79 147.36 33.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.388 -0.82 . . . . 0.0 109.491 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -83.75 159.7 21.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 109.804 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.37 162.42 2.89 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 pt -71.71 -165.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -95.6 140.79 29.93 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.5 tp -46.44 -22.1 0.23 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.421 -0.799 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' SER . 4.0 mmt-85 -72.29 -32.22 66.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.265 -0.897 . . . . 0.0 108.908 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' SER . 70.4 mt-10 -75.78 -38.86 57.88 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.213 -0.929 . . . . 0.0 108.648 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -63.97 -44.26 93.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.87 -42.87 83.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.98 60.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.575 -0.703 . . . . 0.0 110.258 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -71.9 -34.64 69.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 108.988 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -68.28 -35.82 78.44 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.335 -0.853 . . . . 0.0 109.256 179.653 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 25.7 p-10 -82.78 -162.18 0.56 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.799 . . . . 0.0 109.654 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -86.69 -6.36 58.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.282 -0.886 . . . . 0.0 109.647 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -107.64 -88.08 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.377 -0.827 . . . . 0.0 109.709 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.07 10.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 7' ' ' ASP . 28.6 mtm-85 -84.39 -174.58 5.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.015 -1.286 . . . . 0.0 108.789 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -122.26 120.33 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.315 -0.866 . . . . 0.0 109.902 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.8 mt -87.19 140.77 29.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' GLY . 27.7 mmtt -88.41 155.32 19.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.316 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.2 m -46.76 92.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.273 -0.892 . . . . 0.0 109.438 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 159.46 -50.29 0.39 Allowed Glycine 0 N--CA 1.486 1.987 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' C ' ' HG ' ' A' ' 18' ' ' SER . 11.3 mp0 -89.57 122.74 33.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -1.095 . . . . 0.0 109.888 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.513 ' HG ' ' C ' ' A' ' 17' ' ' GLU . 3.1 m -152.6 122.45 6.97 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -60.94 157.37 15.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.122 -0.986 . . . . 0.0 110.003 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -108.24 -137.43 0.37 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.638 0.732 . . . . 0.0 110.348 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 4.2 mtpm? -89.14 -25.53 21.8 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.512 -0.743 . . . . 0.0 110.342 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . 52.0 m-20 -82.29 2.15 33.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.919 -1.113 . . . . 0.0 109.993 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -19.8 5.77 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' NE ' ' CB ' ' A' ' 22' ' ' ASP . 9.0 ptp180 -67.76 157.01 35.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.343 -1.093 . . . . 0.0 109.3 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HH ' ' NH2' ' A' ' 11' ' ' ARG . 85.8 m-85 -74.87 143.8 43.67 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.104 -0.998 . . . . 0.0 108.629 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.14 112.38 11.08 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.7 t80 -101.4 99.85 10.25 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.626 0.727 . . . . 0.0 109.3 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -97.15 134.35 40.59 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 30.4 p90 -154.25 138.93 16.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.819 -1.176 . . . . 0.0 110.221 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -74.81 127.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 33' ' ' PHE . 5.0 m-20 -79.51 168.87 18.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 109.548 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -62.8 5.52 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.331 -0.856 . . . . 0.0 110.269 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.523 ' H ' ' C ' ' A' ' 31' ' ' ASP . 24.9 m-85 -100.24 -30.63 11.79 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.076 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.44 29.75 4.95 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 3.6 pt-20 -130.76 113.9 16.53 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.645 -0.915 . . . . 0.0 108.715 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -42.24 154.41 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.97 1.78 . . . . 0.0 112.204 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -134.5 132.15 38.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.478 -0.764 . . . . 0.0 109.615 -179.169 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.529 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 7.5 m-85 -101.81 126.1 48.62 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.324 -0.86 . . . . 0.0 111.531 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.48 118.74 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -102.02 159.46 15.34 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.56 156.74 1.19 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -106.62 -37.09 6.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.345 -0.847 . . . . 0.0 109.407 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.61 132.48 39.28 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.2 -33.34 63.39 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -137.43 149.89 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.82 65.49 0.09 Allowed 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.136 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' VAL . 4.7 m -151.19 -33.83 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.92 -158.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.456 -0.777 . . . . 0.0 109.093 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -130.6 -163.76 1.35 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.175 -0.953 . . . . 0.0 109.246 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.2 m -157.51 118.07 2.0 Allowed Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.251 -0.905 . . . . 0.0 109.218 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.28 141.81 3.02 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.926 1.751 . . . . 0.0 112.691 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.36 157.22 3.84 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.594 -0.691 . . . . 0.0 109.665 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -14.97 57.22 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.9 mptt -88.23 153.18 21.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -1.174 . . . . 0.0 109.388 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -81.18 116.21 20.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.362 -0.836 . . . . 0.0 109.387 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -50.42 151.7 2.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.117 -0.989 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.97 160.72 6.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.326 -0.859 . . . . 0.0 108.878 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 pt -73.57 142.96 14.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.221 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 p -47.83 149.47 1.3 Allowed 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.355 -0.841 . . . . 0.0 109.595 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -47.77 -53.35 15.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.056 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -45.27 -31.62 1.63 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 0.0 110.187 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.61 -29.46 45.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.698 -1.251 . . . . 0.0 108.125 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' LEU . 71.7 mttt -72.17 -45.75 59.15 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 7.0 mt -62.05 -39.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.53 66.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.93 -34.04 68.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.051 -1.03 . . . . 0.0 109.557 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.22 -41.0 94.85 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.454 -0.779 . . . . 0.0 109.626 179.655 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' A' ' 6' ' ' ARG . 1.9 mtt-85 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 22.7 p-10 -83.48 -176.75 6.46 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.192 -0.942 . . . . 0.0 109.189 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -65.36 -6.82 11.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.155 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.33 -96.62 0.3 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.493 -0.755 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.33 16.85 0.11 Allowed Glycine 0 N--CA 1.492 2.413 0 C-N-CA 119.569 -1.3 . . . . 0.0 109.909 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 71.4 mtm180 -84.01 -165.18 1.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.204 -1.174 . . . . 0.0 109.265 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mm -133.03 122.99 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.431 -0.793 . . . . 0.0 109.183 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mp -89.41 154.38 20.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 108.762 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -88.47 161.86 16.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.09 -1.006 . . . . 0.0 108.712 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 16' ' ' GLY . 30.0 m -46.79 162.19 0.05 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.056 -1.028 . . . . 0.0 109.49 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.441 ' N ' ' CG2' ' A' ' 15' ' ' THR . . . 80.28 -38.79 2.25 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' OE2' ' CD1' ' A' ' 27' ' ' TYR . 17.1 mp0 -94.1 145.86 24.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.295 -1.121 . . . . 0.0 110.275 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 4.0 m -179.74 137.95 0.13 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.68 143.73 47.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.076 -1.015 . . . . 0.0 109.563 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.485 ' NH1' ' H ' ' A' ' 22' ' ' ASP . 4.0 ptm180 -97.83 -151.31 0.37 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.346 -0.846 . . . . 0.0 110.063 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -78.32 -26.35 46.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.157 -0.965 . . . . 0.0 111.163 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 99.5 m-20 -80.89 2.48 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.823 -1.173 . . . . 0.0 110.286 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -24.64 3.55 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -67.23 158.44 31.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.347 . . . . 0.0 109.187 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.65 151.34 39.32 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.284 -0.885 . . . . 0.0 109.335 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.18 127.42 21.15 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 28.5 t80 -121.67 105.23 10.23 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -88.36 139.88 30.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 4.1 p90 -151.0 136.49 17.82 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.946 -1.097 . . . . 0.0 109.58 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -80.44 125.01 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.718 -0.614 . . . . 0.0 109.504 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -79.93 -178.74 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -78.49 11.2 2.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 109.866 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -100.81 -29.41 12.27 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.42 33.44 3.91 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 3.2 pt-20 -140.88 117.16 7.57 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.453 -1.027 . . . . 0.0 108.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.07 157.59 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.845 1.696 . . . . 0.0 112.543 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -135.2 136.85 42.1 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.459 -0.776 . . . . 0.0 109.304 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -100.34 126.7 46.72 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.268 -0.895 . . . . 0.0 111.271 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.49 119.24 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.83 153.12 20.12 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.096 -1.003 . . . . 0.0 111.453 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -173.3 142.77 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -96.68 -26.24 15.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HZ3' ' H ' ' A' ' 47' ' ' THR . 10.1 mtpp -96.6 134.5 39.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.527 -0.733 . . . . 0.0 110.212 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.9 tp -79.94 -26.19 40.17 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.7 m -145.41 155.91 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 67.16 0.29 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.362 -0.837 . . . . 0.0 109.722 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.535 ' H ' ' HZ3' ' A' ' 43' ' ' LYS . 36.4 m -149.87 -40.46 0.14 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.51 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 1.7 m-20 -67.98 -169.57 0.14 Allowed 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.555 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -138.39 149.77 45.87 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.122 -0.986 . . . . 0.0 109.391 179.399 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.4 m -85.2 137.7 37.04 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.536 -0.728 . . . . 0.0 109.566 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.83 160.0 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.074 1.182 . . . . 0.0 111.034 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -57.43 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.395 -0.816 . . . . 0.0 111.709 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -2.07 0.05 OUTLIER Glycine 0 N--CA 1.494 2.512 0 O-C-N 121.276 -0.89 . . . . 0.0 111.742 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 52' ' ' ALA . 5.3 mptt -91.71 157.84 16.71 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.531 -1.57 . . . . 0.0 109.989 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -81.92 174.24 11.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 0.0 109.313 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -98.25 145.48 26.6 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.267 -0.896 . . . . 0.0 109.138 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' ILE . . . -166.18 63.4 0.1 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.22 -0.925 . . . . 0.0 110.032 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.498 ' C ' ' O ' ' A' ' 57' ' ' ALA . 6.1 pt 24.27 -140.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.327 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.442 ' OG ' ' OE2' ' A' ' 62' ' ' GLU . 1.1 p -124.47 147.45 48.32 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.21 -36.54 20.22 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.262 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -62.4 -27.49 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 0.0 109.469 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -77.27 -41.34 41.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.529 -1.357 . . . . 0.0 107.867 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -67.03 -58.13 5.52 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -44.96 -46.28 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.99 63.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.787 . . . . 0.0 110.103 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.049 -1.032 . . . . 0.0 109.351 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.06 -38.65 79.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.45 -0.781 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 109.583 -179.851 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 18.1 p-10 -81.89 -172.46 3.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.941 . . . . 0.0 109.98 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.529 ' CG ' HE22 ' A' ' 19' ' ' GLN . 74.8 m-20 -91.82 4.88 51.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.372 -0.83 . . . . 0.0 110.152 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -103.12 -52.28 3.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.187 -0.945 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.25 -0.9 0.43 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -79.72 -160.4 0.26 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.109 -1.23 . . . . 0.0 108.391 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mm -131.86 120.71 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.226 -0.921 . . . . 0.0 109.842 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -89.11 141.32 28.61 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.195 -0.941 . . . . 0.0 108.555 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -91.01 -167.46 1.82 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.081 -1.012 . . . . 0.0 109.737 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 17' ' ' GLU . 53.4 m -72.09 169.27 16.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.175 -0.953 . . . . 0.0 108.556 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.09 -49.3 0.89 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -90.36 140.68 29.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.383 -1.069 . . . . 0.0 109.33 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.523 ' HG ' ' N ' ' A' ' 19' ' ' GLN . 98.0 p -156.32 -133.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.178 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.529 HE22 ' CG ' ' A' ' 8' ' ' ASN . 15.0 tt0 -159.75 142.19 13.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -0.919 . . . . 0.0 109.466 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -85.15 -153.49 0.17 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.272 -0.893 . . . . 0.0 110.075 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -95.41 -23.35 17.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.413 -0.804 . . . . 0.0 110.621 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 1.92 28.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.054 -1.029 . . . . 0.0 109.906 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.74 -16.77 58.51 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -68.41 154.72 41.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.198 -1.177 . . . . 0.0 109.219 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -74.84 154.92 38.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.268 -0.895 . . . . 0.0 109.078 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -138.9 133.93 32.56 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.389 -0.819 . . . . 0.0 108.91 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -129.59 102.89 6.56 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -96.57 137.24 35.94 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 11.9 p90 -152.13 135.23 15.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.897 -1.127 . . . . 0.0 109.526 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.38 126.16 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.641 -0.662 . . . . 0.0 109.595 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.4 m-20 -80.18 177.91 8.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.214 -0.929 . . . . 0.0 109.489 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -75.24 11.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.813 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.6 m-85 -100.54 -30.38 11.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.0 34.03 3.86 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -140.09 115.46 7.84 Favored Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.598 -0.942 . . . . 0.0 108.913 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -42.77 159.84 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.874 1.716 . . . . 0.0 112.389 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.36 127.85 28.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.371 -0.83 . . . . 0.0 109.512 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.631 ' N ' ' NE2' ' A' ' 37' ' ' GLN . 9.3 m-85 -96.85 128.65 44.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.297 -0.877 . . . . 0.0 111.351 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.52 116.88 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -102.41 147.58 26.54 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.209 -0.932 . . . . 0.0 110.987 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.8 148.1 17.27 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -101.91 -38.08 7.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.131 -0.981 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -91.54 125.7 36.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.567 -0.708 . . . . 0.0 109.777 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.6 tp -73.54 -25.53 60.43 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 m -142.28 152.25 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 66.31 0.32 Allowed 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.735 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.7 m -151.82 -35.56 0.13 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.34 -166.67 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.654 -0.654 . . . . 0.0 109.561 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -131.93 -154.94 0.65 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -156.67 133.69 6.52 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.008 -1.057 . . . . 0.0 109.898 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -41.82 132.59 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.061 1.841 . . . . 0.0 112.494 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 147.38 6.77 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.381 -0.825 . . . . 0.0 109.29 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.03 51.72 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 54' ' ' LYS . 11.3 mptt -87.52 155.51 19.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -1.17 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -79.41 140.01 37.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.161 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -69.59 158.0 36.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.962 . . . . 0.0 109.384 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -169.07 157.35 7.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.0 108.931 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 pt -72.02 163.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -65.27 156.23 32.65 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 121.076 -1.015 . . . . 0.0 109.949 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.0 tp -52.6 -46.28 66.92 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -56.58 -29.19 61.78 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.181 -0.949 . . . . 0.0 110.015 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -74.45 -37.12 63.33 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -66.52 -64.17 0.91 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.9 mt -48.86 -39.53 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.344 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.21 -38.16 62.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.328 -0.858 . . . . 0.0 110.383 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -72.94 -36.1 67.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.823 -1.173 . . . . 0.0 108.845 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.98 -27.88 61.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.463 -0.773 . . . . 0.0 111.287 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 . . . . . 0 N--CA 1.498 1.961 0 O-C-N 120.628 -1.295 . . . . 0.0 110.638 -178.191 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -153.91 146.92 24.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.264 -0.897 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.641 ' H ' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -80.04 117.99 21.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.267 -0.896 . . . . 0.0 109.412 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HE ' ' HA2' ' A' ' 10' ' ' GLY . 4.3 mmm-85 -105.63 155.22 19.44 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -81.76 -165.97 1.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.54 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -79.24 10.57 3.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 0.0 109.844 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -134.22 -93.9 0.3 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.89 . . . . 0.0 109.554 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' HA2' ' HE ' ' A' ' 6' ' ' ARG . . . -151.48 8.59 0.65 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -84.75 145.2 28.04 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -1.153 . . . . 0.0 109.37 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mm -90.64 124.84 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 110.054 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.69 157.67 18.46 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -88.78 157.66 18.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.868 -1.145 . . . . 0.0 109.03 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 17' ' ' GLU . 88.6 m -47.3 168.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.989 -1.069 . . . . 0.0 109.486 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' N ' ' CG2' ' A' ' 15' ' ' THR . . . 74.69 -41.19 1.19 Allowed Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 15' ' ' THR . 45.8 mt-10 -92.1 164.12 13.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.273 -1.134 . . . . 0.0 110.223 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 19' ' ' GLN . 27.6 t -175.99 -147.03 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.533 ' N ' ' OG ' ' A' ' 18' ' ' SER . 11.4 pt20 -150.33 129.34 12.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.855 -1.153 . . . . 0.0 109.81 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.576 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.95 -153.31 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.413 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -94.7 -20.54 19.45 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.378 -0.826 . . . . 0.0 108.793 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.55 -2.85 56.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.506 -0.746 . . . . 0.0 109.641 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -14.06 66.04 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -67.45 164.27 19.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.963 -1.316 . . . . 0.0 109.175 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -87.11 149.03 24.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.094 -1.004 . . . . 0.0 110.222 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tp -137.73 142.52 40.99 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -130.96 97.89 4.44 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.501 ' HZ2' ' N6 ' ' C' ' 123' ' ' ' DA' . 17.6 tttt -92.17 137.13 32.62 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -156.45 138.22 14.26 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.734 -1.229 . . . . 0.0 110.622 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.16 112.6 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -81.15 -179.23 7.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.228 -0.92 . . . . 0.0 109.849 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -77.41 13.77 1.13 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.791 . . . . 0.0 109.885 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -96.36 -30.04 13.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.256 -0.903 . . . . 0.0 108.73 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 27.42 6.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -154.31 124.68 3.38 Favored Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.304 -1.115 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -39.8 155.91 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.105 1.87 . . . . 0.0 112.827 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -127.89 131.56 49.4 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.464 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 6.5 m-85 -96.36 122.71 39.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.454 -0.779 . . . . 0.0 111.322 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.64 120.99 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -100.61 156.15 17.47 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.023 -1.048 . . . . 0.0 111.096 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.8 t -175.78 148.77 0.89 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -102.08 -30.37 11.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.198 -0.938 . . . . 0.0 108.715 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 9.6 mtmm -97.12 129.61 44.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.666 -0.646 . . . . 0.0 109.875 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 tp -71.49 -31.55 67.24 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.78 158.88 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.33 58.86 1.72 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.268 -0.895 . . . . 0.0 110.793 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.5 p -148.93 -28.14 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.32 -0.862 . . . . 0.0 108.731 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.43 -155.0 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.404 -0.81 . . . . 0.0 110.062 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -135.24 -162.47 1.26 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.265 -0.897 . . . . 0.0 109.078 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -153.77 131.82 6.44 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 120.954 -1.091 . . . . 0.0 109.621 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -40.97 132.36 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.086 1.858 . . . . 0.0 112.587 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 141.88 23.98 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.384 -0.823 . . . . 0.0 109.594 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.44 -16.02 61.24 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -88.21 157.38 18.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -1.19 . . . . 0.0 109.44 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -78.94 162.24 26.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.372 -0.83 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.06 157.38 17.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -172.38 157.82 4.17 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 pt -74.29 140.98 16.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.814 -1.179 . . . . 0.0 108.023 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.83 152.07 0.39 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.481 -0.762 . . . . 0.0 109.998 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -39.6 64.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -55.29 -30.23 59.73 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.383 -0.823 . . . . 0.0 109.495 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -79.13 -40.31 31.37 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 120.98 -1.075 . . . . 0.0 108.477 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.88 -51.99 62.02 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.4 mt -53.37 -47.78 57.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.27 -28.96 20.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.747 . . . . 0.0 110.045 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.2 -36.25 61.42 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.94 -1.1 . . . . 0.0 108.762 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.72 -35.8 72.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.614 -0.679 . . . . 0.0 110.1 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.15 -37.71 28.35 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.069 -1.02 . . . . 0.0 109.643 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -73.23 -103.42 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.273 -0.892 . . . . 0.0 109.922 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -156.95 93.62 1.36 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.826 . . . . 0.0 109.347 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.199 -0.938 . . . . 0.0 109.454 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.644 1 O4'-C1'-N19 112.015 5.269 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.472 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.472 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.448 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.568 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.575 ' N7 ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C1'-N19 110.644 3.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.552 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.561 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.605 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.605 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.354 4.443 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.499 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.0 4.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.466 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.203 1 O4'-C1'-N19 111.455 4.569 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.408 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.59 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.605 0 O4'-C1'-N19 110.562 3.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.59 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.718 4.897 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.533 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.186 1 O4'-C1'-N19 111.545 4.681 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.548 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.422 3.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.548 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.768 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.521 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.569 3.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.464 ' N4 ' ' CE2' ' A' ' 38' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 2.736 0 C3'-C2'-C1' 107.271 3.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.642 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.642 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.617 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.888 1 O4'-C1'-N19 111.826 5.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.447 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.416 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.371 3.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -82.23 116.6 21.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.26 -0.9 . . . . 0.0 109.135 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' NH1' ' OP1' ' B' ' 104' ' ' ' DT' . 50.8 ttt180 -79.86 170.27 16.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.202 -0.936 . . . . 0.0 109.36 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.697 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -128.27 156.93 42.23 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.562 -0.711 . . . . 0.0 109.479 -179.654 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -81.18 -169.1 2.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -87.76 18.9 3.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.527 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.471 HH11 ' HG2' ' A' ' 9' ' ' ARG . 3.7 mmt-85 -135.05 -88.27 0.36 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.424 -0.797 . . . . 0.0 109.63 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.98 8.2 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' NH2' ' HH ' ' A' ' 25' ' ' TYR . 69.5 mtm180 -82.66 -165.68 1.11 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.1 -1.235 . . . . 0.0 108.365 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -135.31 123.73 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.03 -1.044 . . . . 0.0 109.456 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.05 140.51 29.37 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.309 -0.87 . . . . 0.0 108.766 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' CG ' ' H ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -88.73 -154.66 0.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.996 -1.065 . . . . 0.0 109.277 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.551 ' H ' ' CG ' ' A' ' 14' ' ' LYS . 55.2 m -86.17 157.36 20.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.913 . . . . 0.0 108.954 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.84 -29.27 1.08 Allowed Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' A' ' 15' ' ' THR . 50.5 mt-10 -89.89 132.15 35.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.384 -1.068 . . . . 0.0 109.961 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 5.1 m -167.69 163.5 14.35 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.534 ' OE1' ' N ' ' A' ' 19' ' ' GLN . 6.5 mp0 -104.68 139.48 39.44 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.218 -0.926 . . . . 0.0 110.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.515 HH12 ' N6 ' ' C' ' 120' ' ' ' DA' . 15.0 ttt180 -69.2 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' H ' ' CG ' ' A' ' 20' ' ' ARG . 15.1 mtpp -95.66 -19.5 19.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 0.0 109.121 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.15 -4.0 58.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -12.12 68.99 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' NH1' ' C7 ' ' C' ' 119' ' ' ' DT' . 8.4 ptp180 -67.44 137.57 55.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -1.135 . . . . 0.0 108.952 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.565 ' HH ' ' NH2' ' A' ' 11' ' ' ARG . 64.2 m-85 -74.69 146.82 41.99 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.072 -1.017 . . . . 0.0 109.161 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.81 142.14 29.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.149 -0.97 . . . . 0.0 109.038 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 49.8 t80 -110.54 104.44 13.16 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -97.78 132.39 43.44 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.485 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 27.4 p90 -155.9 127.46 7.28 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.055 -1.028 . . . . 0.0 109.475 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.61 135.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' C ' ' H ' ' A' ' 33' ' ' PHE . 12.7 p30 -80.55 164.64 22.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.41 -0.806 . . . . 0.0 109.387 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 t -63.69 6.56 0.15 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.783 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' H ' ' C ' ' A' ' 31' ' ' ASP . 27.9 m-85 -98.55 -28.5 13.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 108.697 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.49 35.01 3.69 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -131.64 108.64 14.45 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.645 -0.914 . . . . 0.0 109.484 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -42.49 144.96 1.08 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.127 1.885 . . . . 0.0 112.201 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -131.71 113.45 13.58 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 110.025 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -93.12 141.85 27.95 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 122.07 0.938 . . . . 0.0 111.672 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -139.56 114.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.02 167.89 9.95 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-O 122.221 1.01 . . . . 0.0 112.16 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.5 170.85 1.02 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -114.81 -33.83 5.34 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.035 -1.041 . . . . 0.0 109.802 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.76 117.91 30.89 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.0 109.317 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.55 -28.54 69.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.861 -1.149 . . . . 0.0 108.086 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.7 m -138.43 144.8 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.76 66.77 0.06 Allowed 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.157 -0.964 . . . . 0.0 110.16 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.2 m -150.27 -34.13 0.17 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.28 -161.49 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.591 -0.693 . . . . 0.0 109.22 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -135.88 -160.52 1.06 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.211 -0.93 . . . . 0.0 109.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -155.07 119.83 2.56 Favored Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -40.88 133.36 2.64 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.735 1.624 . . . . 0.0 112.381 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.33 156.62 0.57 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.537 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.96 -20.82 33.9 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -88.73 158.46 18.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.199 -1.177 . . . . 0.0 109.285 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 mmp_? -78.35 137.83 38.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.268 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.35 153.67 42.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.22 160.19 15.81 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.301 -0.874 . . . . 0.0 108.786 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 pt -70.78 -177.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' GLU . 7.6 t -86.68 146.91 26.11 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.947 -1.096 . . . . 0.0 109.512 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.45 -33.63 4.12 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.506 0.67 . . . . 0.0 109.29 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -64.63 -31.23 72.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.743 . . . . 0.0 109.45 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' SER . 45.5 mm-40 -76.03 -41.29 51.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.969 -1.082 . . . . 0.0 108.245 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -62.25 -51.44 67.71 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -49.72 -38.48 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.86 72.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.482 -0.761 . . . . 0.0 110.508 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 71' ' ' ILE . 1.2 mm-40 -71.99 -32.59 67.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.062 -1.024 . . . . 0.0 109.328 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 69' ' ' LYS . 14.8 mt -67.32 -41.5 85.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 108.905 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -80.97 26.73 0.41 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 67' ' ' LEU . 37.7 tttp -163.02 -110.32 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -156.88 -93.01 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.004 . . . . 0.0 109.382 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.434 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 76.8 mt . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.218 -0.926 . . . . 0.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.68 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 110.556 3.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.68 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.392 4.49 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.516 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.283 0 O4'-C1'-N19 110.511 3.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.685 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.226 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.685 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.72 1 O4'-C1'-N19 111.681 4.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.526 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.324 1 O4'-C1'-N19 111.434 4.542 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.588 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.737 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.588 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.574 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.118 4.148 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.574 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.255 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.501 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.48 0 O4'-C1'-N19 110.398 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.413 3.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.605 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.605 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.041 1 O4'-C1'-N19 111.689 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.539 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.059 1 O4'-C1'-N19 111.612 4.765 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.644 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.412 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.644 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.515 ' N6 ' HH12 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.754 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.521 H2'' " O5'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.9 0 O4'-C1'-N19 110.401 3.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.986 1 O4'-C1'-N19 111.561 4.702 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.679 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.679 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.679 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.611 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 111.669 4.836 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.611 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.928 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -147.96 145.81 28.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.314 -0.866 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -81.38 159.81 24.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.418 -0.801 . . . . 0.0 109.446 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -132.77 160.55 36.53 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -81.86 -177.31 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.009 . . . . 0.0 109.533 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.25 -1.33 5.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 109.817 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -106.86 -90.44 0.43 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -0.781 . . . . 0.0 109.142 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.7 16.91 0.09 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -84.88 -178.72 6.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -1.102 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -114.35 116.82 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.568 ' CD1' HE22 ' A' ' 19' ' ' GLN . 7.6 mt -86.27 141.24 29.41 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.15 169.18 12.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.74 -1.225 . . . . 0.0 109.855 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 17' ' ' GLU . 2.6 m -53.27 159.0 1.44 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.314 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.7 -38.67 1.93 Allowed Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' C ' ' HG ' ' A' ' 18' ' ' SER . 40.4 mt-10 -91.48 145.06 24.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.387 -1.067 . . . . 0.0 109.878 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.501 ' HG ' ' C ' ' A' ' 17' ' ' GLU . 14.6 m -166.83 -152.88 0.14 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.416 -0.802 . . . . 0.0 108.951 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.568 HE22 ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -146.87 171.57 15.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.047 -1.033 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' NH1' ' O6 ' ' B' ' 106' ' ' ' DG' . 4.4 mmm180 -118.94 -162.49 0.91 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.68 -0.637 . . . . 0.0 109.297 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -71.6 -26.92 62.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.848 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -82.12 1.33 36.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 -5.35 50.93 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.615 ' NH2' ' CE2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -68.69 148.12 50.86 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.101 -1.235 . . . . 0.0 108.815 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -76.82 153.23 35.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.779 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 tp -143.86 121.83 12.07 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 47.1 t80 -102.84 104.01 14.24 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -100.3 133.99 43.91 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 33.1 p90 -156.94 135.27 11.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 0.0 110.113 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -72.44 118.99 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.522 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.7 m-20 -81.49 170.5 15.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.139 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.9 m -69.45 14.06 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.537 -0.727 . . . . 0.0 109.732 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.51 ' H ' ' C ' ' A' ' 31' ' ' ASP . 25.6 m-85 -96.95 -28.68 14.08 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.78 31.39 5.75 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -151.81 120.81 3.4 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -1.121 . . . . 0.0 109.267 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.41 151.83 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.05 1.833 . . . . 0.0 112.719 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -128.94 137.28 51.31 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -109.98 130.99 55.45 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.463 -0.773 . . . . 0.0 110.987 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.27 112.38 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.88 164.54 11.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.223 -0.923 . . . . 0.0 111.02 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -176.53 -172.49 0.46 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CE2' ' NH2' ' A' ' 24' ' ' ARG . 74.7 m95 -133.21 -42.95 0.87 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.232 -0.917 . . . . 0.0 109.555 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 11.7 mtpp -90.61 124.78 35.32 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.29 -0.881 . . . . 0.0 109.756 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 tp -65.75 -37.79 87.31 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -136.03 157.47 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 65.39 0.23 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.156 -0.965 . . . . 0.0 109.774 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' VAL . 12.1 m -151.72 -31.48 0.16 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.544 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 8.0 m-20 -69.59 -158.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 108.824 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.519 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.3 OUTLIER -134.63 -163.91 1.44 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.105 -0.997 . . . . 0.0 109.225 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -155.83 117.38 2.28 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.44 138.24 7.65 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.764 1.642 . . . . 0.0 112.436 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.93 156.71 1.94 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.699 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.3 52.86 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.7 mptt -87.83 157.31 19.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -1.15 . . . . 0.0 109.353 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -78.52 113.76 16.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.84 . . . . 0.0 109.335 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -50.37 155.65 0.99 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.205 -0.934 . . . . 0.0 109.374 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.25 168.11 3.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.117 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.3 pt -71.14 -153.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' GLU . 5.5 p -105.07 143.4 33.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.1 tp -46.93 -33.42 4.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -67.73 -29.79 69.12 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.511 -0.743 . . . . 0.0 109.247 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' SER . 29.5 mt-10 -77.36 -37.87 51.36 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -65.09 -52.5 55.18 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.72 -40.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.26 64.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.618 -0.676 . . . . 0.0 110.288 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.93 -31.81 64.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.883 -1.136 . . . . 0.0 109.391 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.26 -28.53 67.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 109.323 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -80.08 4.53 16.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 0.0 109.06 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -165.96 102.2 0.66 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -86.19 66.32 9.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.582 -0.699 . . . . 0.0 109.68 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.339 -0.851 . . . . 0.0 109.189 179.739 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 112.062 5.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.683 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.683 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.62 1 O4'-C1'-N19 111.575 4.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.585 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.485 3.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.585 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.157 4.196 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.526 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.437 4.546 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.526 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.384 4.48 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.626 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.557 3.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.626 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.982 1 O4'-C1'-N19 111.074 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.482 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.35 1 O4'-C1'-N19 111.466 4.583 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.425 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.782 0 O4'-C1'-N19 110.465 3.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.433 3.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.514 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.582 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.797 3.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.582 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.884 5.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.537 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.199 1 O4'-C1'-N19 111.099 4.124 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.533 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.44 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.533 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.49 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.49 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.547 0 C3'-C2'-C1' 107.174 3.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.71 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.863 5.078 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.71 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.57 0 O4'-C1'-N19 110.47 3.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.644 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.772 4.965 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.469 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.097 4.121 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.469 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.17 132.08 22.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.196 -0.94 . . . . 0.0 109.166 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.595 HH11 ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -81.88 162.79 22.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.187 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -135.77 154.54 51.19 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.368 -0.833 . . . . 0.0 109.489 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 20.2 p-10 -84.3 -172.49 4.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.416 -0.802 . . . . 0.0 109.722 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.666 HD21 ' NE2' ' A' ' 19' ' ' GLN . 10.4 p30 -90.1 4.07 51.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.381 -0.825 . . . . 0.0 109.682 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -104.47 -61.9 1.39 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.0 -2.78 0.07 OUTLIER Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.709 -1.234 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -161.39 0.35 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.912 -1.346 . . . . 0.0 108.594 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -130.43 122.04 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.252 -0.905 . . . . 0.0 109.437 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.88 135.81 33.54 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' GLY . 8.4 tptt -87.96 169.69 11.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 109.817 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.2 m -53.49 88.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.295 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 161.62 -54.57 0.32 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -87.78 142.27 27.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.125 -1.22 . . . . 0.0 110.028 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -145.57 -136.76 0.09 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.399 -0.813 . . . . 0.0 109.445 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.666 ' NE2' HD21 ' A' ' 8' ' ' ASN . 12.3 tt0 -160.07 150.48 18.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.146 -0.971 . . . . 0.0 109.691 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.609 HH22 ' N6 ' ' B' ' 105' ' ' ' DA' . 5.7 tpt180 -108.01 -162.25 0.82 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.475 -0.765 . . . . 0.0 109.844 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -23.95 58.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.922 . . . . 0.0 109.094 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.03 0.58 35.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.041 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.64 -14.82 22.55 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' NH2' ' OP2' ' C' ' 118' ' ' ' DT' . 10.0 ptp180 -67.57 162.94 22.33 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.1 -1.235 . . . . 0.0 109.2 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -80.41 156.58 26.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 109.937 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD2' HH11 ' A' ' 20' ' ' ARG . 6.6 tp -136.69 116.91 13.49 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.622 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 31.5 t80 -109.29 98.07 7.56 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -96.52 134.09 40.16 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.622 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 34.9 p90 -156.42 147.51 22.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.044 -1.035 . . . . 0.0 110.132 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mm -78.53 130.57 36.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 33' ' ' PHE . 35.8 p30 -80.51 163.68 23.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.029 . . . . 0.0 109.82 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -64.38 5.57 0.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 109.906 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.519 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.5 m-85 -99.29 -29.35 12.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.25 -0.906 . . . . 0.0 108.632 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' OE2' ' A' ' 35' ' ' GLU . . . 106.54 33.61 3.31 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 34' ' ' GLY . 58.0 mm-40 -138.92 119.68 9.8 Favored Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.488 -1.007 . . . . 0.0 109.292 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.08 154.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.86 1.707 . . . . 0.0 112.382 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -137.9 117.7 13.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.36 -0.838 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -91.36 133.44 35.44 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.3 -0.875 . . . . 0.0 110.539 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.14 119.21 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.17 161.45 14.25 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.234 -0.916 . . . . 0.0 111.353 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.04 164.47 6.19 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -109.49 -35.43 6.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.185 -0.947 . . . . 0.0 109.184 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.0 mtmm -97.53 130.09 44.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.532 -0.73 . . . . 0.0 109.897 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.37 -35.26 77.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.38 155.97 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.05 67.51 0.65 Allowed 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.934 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -149.36 -37.83 0.16 Allowed 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.32 -162.25 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -132.06 -160.44 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.9 m -155.78 135.64 8.3 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.289 -0.882 . . . . 0.0 109.028 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 77.4 Cg_exo -42.56 144.13 1.37 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.822 1.681 . . . . 0.0 112.458 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.6 139.09 57.95 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.24 -0.913 . . . . 0.0 109.68 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.05 3.07 68.19 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 51' ' ' PRO . 2.2 mmpm? -88.29 157.89 18.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.037 -1.272 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -80.17 109.4 14.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.135 -0.978 . . . . 0.0 108.643 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -46.55 149.39 0.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -168.01 154.4 7.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 pt -74.14 144.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 120.771 -1.205 . . . . 0.0 108.499 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 p -46.7 148.18 1.08 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -49.05 -49.15 42.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.1 -1.0 . . . . 0.0 108.901 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -49.18 -30.92 7.53 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.492 -0.755 . . . . 0.0 109.87 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -78.61 -31.78 47.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.708 -1.245 . . . . 0.0 107.985 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.0 mttm -68.54 -57.0 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mt -47.12 -43.12 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.06 66.04 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.37 -0.831 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -74.71 -34.58 62.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 0.0 109.665 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.21 -31.3 70.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.355 -0.841 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.29 -44.07 18.21 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.852 . . . . 0.0 109.176 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -73.55 -99.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 109.378 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -155.69 -73.64 0.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.287 -0.883 . . . . 0.0 109.444 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.6 tt . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.005 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.399 1 O4'-C1'-N19 111.967 5.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.425 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.739 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.501 ' C2 ' ' C2 ' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 1 O4'-C1'-N19 111.601 4.751 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.501 ' C2 ' ' C2 ' ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.453 4.566 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.609 ' N6 ' HH22 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.322 0 O4'-C1'-N19 110.835 3.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.616 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.616 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.517 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.608 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.545 3.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.608 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.159 4.198 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.577 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.172 4.215 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.498 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.385 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.452 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.861 0 O4'-C1'-N19 110.462 3.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 C3'-C2'-C1' 106.978 3.056 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.504 3.38 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.624 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.866 3.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.624 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.952 5.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.473 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.199 1 O4'-C1'-N19 111.688 4.86 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.47 ' OP2' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O4'-C1'-N19 110.778 3.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.516 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.51 3.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.556 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.63 3.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.556 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 C3'-C2'-C1' 107.242 3.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.522 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.708 4.885 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.652 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.474 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.652 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.969 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.547 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.648 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.547 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 5' ' ' ARG . 37.9 tt0 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 5' ' ' ARG . 19.1 tptt 63.83 -81.18 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.304 -0.873 . . . . 0.0 109.439 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 58.3 ttt180 54.12 166.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.171 -0.956 . . . . 0.0 109.606 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -139.81 146.59 39.61 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.091 -1.006 . . . . 0.0 109.008 -179.614 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -82.81 -154.69 0.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.438 -0.789 . . . . 0.0 109.707 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -89.81 -12.93 37.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.268 -0.895 . . . . 0.0 109.837 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -103.78 -98.8 0.31 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.338 -0.851 . . . . 0.0 109.661 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.72 11.81 0.62 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' NH2' ' HH ' ' A' ' 25' ' ' TYR . 69.6 mtm180 -82.37 -164.4 0.83 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -1.136 . . . . 0.0 108.825 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -134.3 126.72 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.132 -0.98 . . . . 0.0 109.197 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.9 mt -89.31 133.06 34.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 109.174 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.33 157.95 17.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.125 -0.984 . . . . 0.0 109.471 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.0 m -48.25 111.87 0.51 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.95 -51.23 0.77 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' C ' ' HG ' ' A' ' 18' ' ' SER . 59.4 mt-10 -89.24 158.15 17.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.319 -1.106 . . . . 0.0 109.726 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.483 ' HG ' ' C ' ' A' ' 17' ' ' GLU . 3.1 m -160.45 -148.88 0.17 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.318 -0.864 . . . . 0.0 109.655 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.534 HE22 ' C ' ' A' ' 24' ' ' ARG . 6.9 tp-100 -154.27 127.69 8.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.319 -0.863 . . . . 0.0 108.87 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.539 ' NH1' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -82.79 -154.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.217 -0.927 . . . . 0.0 109.616 -179.345 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -95.63 -19.43 19.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.308 -0.87 . . . . 0.0 109.691 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.37 3.38 21.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.288 -0.882 . . . . 0.0 110.222 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 86.81 -25.3 7.62 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.534 ' C ' HE22 ' A' ' 19' ' ' GLN . 10.1 ptp180 -69.4 156.59 38.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.348 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' HH ' ' NH2' ' A' ' 11' ' ' ARG . 69.8 m-85 -74.25 155.65 38.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.068 -1.02 . . . . 0.0 109.413 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 tp -132.97 116.78 16.84 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -117.68 108.45 15.43 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.634 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 ttmp? -101.84 143.66 31.47 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -156.17 135.28 12.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.012 . . . . 0.0 109.933 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.9 mm -70.95 119.71 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.253 -0.904 . . . . 0.0 108.998 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 33' ' ' PHE . 10.1 p30 -83.2 173.2 11.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.251 -0.905 . . . . 0.0 110.067 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.9 m -77.95 15.57 0.86 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.415 -0.803 . . . . 0.0 109.548 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ASP . 16.6 m-85 -95.44 -31.17 13.5 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.43 29.07 4.07 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -159.01 129.14 3.42 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.085 -1.244 . . . . 0.0 109.815 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -38.89 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.339 2.026 . . . . 0.0 112.997 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.479 ' NE2' ' OP2' ' C' ' 121' ' ' ' DC' . 15.6 tp60 -136.18 122.28 20.27 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.541 -0.724 . . . . 0.0 109.055 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 8.2 m-85 -87.0 139.81 30.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.322 -0.861 . . . . 0.0 111.172 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 t -135.33 112.83 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -100.77 150.42 22.81 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -164.13 153.73 14.21 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -103.72 -29.08 11.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.332 -0.855 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -99.16 120.84 40.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.452 -0.78 . . . . 0.0 109.838 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 tp -75.13 -16.26 60.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.58 154.61 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.92 56.39 0.97 Allowed 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.121 -0.987 . . . . 0.0 110.748 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 p -148.59 -26.05 0.32 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.304 -0.873 . . . . 0.0 109.173 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -67.95 -161.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.228 -0.92 . . . . 0.0 109.983 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -129.62 -157.6 0.83 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.382 -0.823 . . . . 0.0 109.031 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.1 m -153.15 129.06 5.2 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.006 -1.059 . . . . 0.0 109.336 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -41.11 132.06 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.979 1.786 . . . . 0.0 112.503 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.84 137.08 26.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.323 -0.861 . . . . 0.0 109.585 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.84 51.2 Favored Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -87.23 155.76 19.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 109.418 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -80.42 140.89 35.77 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 156.58 39.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.239 -0.913 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.74 158.76 15.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.266 -0.896 . . . . 0.0 108.981 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.17 159.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -60.4 159.22 10.53 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.068 -1.053 . . . . 0.0 108.717 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -31.56 71.14 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -57.51 -34.27 68.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -76.37 -48.92 18.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 108.402 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -55.73 -40.02 71.9 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 mt -68.09 -31.02 50.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.89 84.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.842 . . . . 0.0 111.089 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 70' ' ' ASP . 4.9 pt-20 -74.62 -28.29 60.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.79 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' A' ' 69' ' ' LYS . 20.7 mt -64.92 -40.17 94.65 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.78 -1.2 . . . . 0.0 108.24 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -82.07 29.07 0.41 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 71' ' ' ILE . 63.3 mttm -158.45 -59.39 0.07 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.603 -0.685 . . . . 0.0 109.367 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 66' ' ' GLU . 7.9 t70 63.41 -4.03 0.34 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.618 -0.676 . . . . 0.0 109.666 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.519 ' H ' ' C ' ' A' ' 69' ' ' LYS . 5.9 mm . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.635 1 O4'-C1'-N19 112.404 5.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.532 ' N1 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.476 3.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.515 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.996 1 O4'-C1'-N19 111.633 4.792 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.603 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.444 0 O4'-C1'-N19 110.619 3.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.603 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.977 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.585 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.649 1 O4'-C1'-N19 111.826 5.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.522 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 111.331 4.414 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.654 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.737 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.654 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.46 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.927 3.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.472 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.231 1 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.347 3.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.46 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 C3'-C2'-C1' 106.944 3.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-N19 110.443 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.565 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C1'-N19 110.687 3.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.565 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.842 5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.54 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.241 1 O4'-C1'-N19 111.361 4.452 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.505 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.703 0 C3'-C2'-C1' 107.002 3.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.524 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.602 3.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.524 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.479 ' OP2' ' NE2' ' A' ' 37' ' ' GLN . . . . . . . . 0 C5'--C4' 1.535 2.951 0 C3'-C2'-C1' 107.266 3.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.523 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.43 4.538 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.666 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.458 0 O4'-C1'-N19 110.621 3.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.666 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.001 1 O4'-C1'-N19 112.033 5.292 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.643 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.581 1 O4'-C1'-N19 111.382 4.477 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.643 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.746 3.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? 58.43 166.3 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.137 -0.977 . . . . 0.0 109.213 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -79.27 147.42 32.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 108.818 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.704 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -133.1 151.44 52.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.435 -0.791 . . . . 0.0 109.572 -179.401 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -83.59 -168.27 2.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.326 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.38 26.08 1.3 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.401 -0.812 . . . . 0.0 109.26 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -134.59 -96.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.459 -0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.71 1.28 0.1 OUTLIER Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 -172.45 4.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.013 -1.286 . . . . 0.0 108.258 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mm -125.86 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.419 -0.801 . . . . 0.0 109.093 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -86.08 133.67 33.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.223 -0.923 . . . . 0.0 108.819 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG3' ' H ' ' A' ' 15' ' ' THR . 2.0 tptp -89.05 170.86 10.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.18 -0.95 . . . . 0.0 109.428 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.412 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 15.9 m -49.98 149.13 2.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.78 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.535 ' H ' ' P ' ' B' ' 103' ' ' ' DG' . . . 86.79 -33.15 3.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -90.73 146.37 24.04 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.119 -1.224 . . . . 0.0 109.981 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p -173.62 155.75 2.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.416 -0.803 . . . . 0.0 109.104 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -98.08 141.25 31.25 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.08 -1.012 . . . . 0.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 20' ' ' ARG . 12.4 ttt-85 -86.42 164.96 16.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.479 -0.763 . . . . 0.0 109.988 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 13.2 mtpt -54.51 -20.64 8.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.491 -0.756 . . . . 0.0 109.884 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -81.56 -0.52 42.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 0.0 110.117 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.83 -23.79 9.97 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -67.06 158.07 31.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -1.223 . . . . 0.0 109.154 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -77.33 153.76 33.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.376 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 tt -142.56 136.37 29.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 109.461 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.8 113.03 14.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.503 -0.748 . . . . 0.0 109.149 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -100.36 139.37 36.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 35.0 p90 -156.09 138.17 14.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.896 -1.127 . . . . 0.0 109.958 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.14 124.99 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.558 -0.714 . . . . 0.0 109.598 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -82.45 -169.83 2.64 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 109.595 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -80.14 9.67 5.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.0 109.839 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -99.12 -30.91 12.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 108.708 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.52 11.15 31.76 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -118.88 118.01 33.4 Favored Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.612 -0.934 . . . . 0.0 108.954 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.8 150.01 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.865 1.71 . . . . 0.0 112.641 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.51 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 7.1 tt0 -129.34 118.0 21.54 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -84.74 148.88 26.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.341 -0.849 . . . . 0.0 111.24 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.85 130.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.18 150.54 27.1 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.185 -0.947 . . . . 0.0 111.452 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.21 148.05 3.89 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -104.21 -32.62 9.04 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.068 -1.02 . . . . 0.0 109.182 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.53 119.88 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.291 -0.88 . . . . 0.0 109.974 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -69.6 -23.69 63.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.027 -1.046 . . . . 0.0 108.479 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.0 m -143.77 152.13 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.43 65.23 0.43 Allowed 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.119 -0.988 . . . . 0.0 109.814 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 5.4 m -151.47 -33.37 0.15 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.01 -162.84 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.474 -0.767 . . . . 0.0 109.54 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -136.34 -164.14 1.52 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.304 -0.873 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 m -156.18 119.47 2.32 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.412 -0.805 . . . . 0.0 109.014 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.47 142.84 1.71 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 121.712 1.608 . . . . 0.0 112.43 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.46 162.88 0.7 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.89 -16.39 32.42 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -86.82 158.62 19.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -1.181 . . . . 0.0 109.44 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.1 mmt-85 -79.13 115.47 18.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 0.0 108.941 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -48.16 144.36 3.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.22 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.82 160.33 28.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.172 -0.955 . . . . 0.0 109.695 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.4 pt -72.34 -151.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.42 ' HG ' ' H ' ' A' ' 62' ' ' GLU . 12.3 p -105.22 149.14 26.22 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.0 tp -48.28 -38.94 20.05 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.507 -0.746 . . . . 0.0 109.432 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -62.88 -32.71 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.82 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' H ' ' HG ' ' A' ' 59' ' ' SER . 8.5 mm-40 -74.31 -35.31 63.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.596 -1.315 . . . . 0.0 107.848 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -68.94 -60.75 2.15 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.5 mt -45.24 -42.24 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.87 69.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.578 -0.701 . . . . 0.0 110.471 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -72.35 -32.06 66.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.028 -1.045 . . . . 0.0 109.513 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.17 -35.69 78.44 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.416 -0.803 . . . . 0.0 109.045 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -81.83 -21.42 37.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.384 -0.822 . . . . 0.0 109.26 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -75.62 -108.71 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.265 -0.897 . . . . 0.0 108.953 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -157.76 -41.79 0.07 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.04 -1.037 . . . . 0.0 109.574 179.4 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.411 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 16.0 tt . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.211 -0.931 . . . . 0.0 109.104 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.72 1 O4'-C1'-N19 111.636 4.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.437 0 O4'-C1'-N19 110.644 3.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.593 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 111.323 4.403 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.573 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.897 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.573 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.569 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 111.607 4.759 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.569 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.614 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.614 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.12 1 O4'-C1'-N19 111.533 4.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.55 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.968 3.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.541 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.104 1 O4'-C1'-N19 111.307 4.384 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-N19 110.58 3.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.439 0 O4'-C1'-N19 110.406 3.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.531 3.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.446 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.37 0 O4'-C1'-N19 110.833 3.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.546 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 111.987 5.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.546 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.163 1 O4'-C1'-N19 111.539 4.673 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.425 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.661 0 C3'-C2'-C1' 107.079 3.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.594 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.594 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O4'-C1'-N19 110.886 3.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.46 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 C3'-C2'-C1' 107.321 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.643 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.294 4.367 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.659 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.727 3.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.659 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.446 4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.632 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.719 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.604 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.525 3.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -77.95 -2.45 36.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.162 -0.961 . . . . 0.0 109.445 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.513 HH12 " C3'" ' B' ' 103' ' ' ' DG' . 39.7 ttt180 60.58 146.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.501 -0.75 . . . . 0.0 109.095 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -131.74 171.39 13.55 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.325 -0.859 . . . . 0.0 109.492 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -82.53 -165.94 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.345 -0.847 . . . . 0.0 109.457 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -77.54 -5.47 50.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.137 -0.977 . . . . 0.0 110.072 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -104.34 -101.02 0.31 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 109.387 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.12 11.97 0.19 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -84.4 -170.44 3.1 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.309 -1.112 . . . . 0.0 108.933 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -126.46 100.68 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.428 -0.795 . . . . 0.0 109.935 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.539 ' H ' ' CD2' ' A' ' 13' ' ' LEU . 1.4 pt? -85.35 162.97 18.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -89.0 163.18 15.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.688 -1.257 . . . . 0.0 110.556 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.496 ' O ' ' P ' ' B' ' 103' ' ' ' DG' . 63.5 m -48.87 -52.79 22.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.547 -0.72 . . . . 0.0 109.776 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.37 -34.19 3.36 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.8 159.69 19.03 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.442 -1.034 . . . . 0.0 109.729 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -167.49 179.48 4.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.332 -0.855 . . . . 0.0 109.668 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.449 ' H ' ' NH2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -134.98 143.5 46.87 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 15.6 ptm180 -109.03 -166.85 1.15 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.416 -0.803 . . . . 0.0 110.738 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.6 mtpm? -64.53 -23.12 67.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.533 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 24' ' ' ARG . 30.3 m-20 -81.09 -0.91 42.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 109.551 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 -13.29 3.63 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 22' ' ' ASP . 4.4 ptm180 -70.51 147.3 49.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.327 -1.102 . . . . 0.0 109.951 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -81.09 147.52 30.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.436 -0.79 . . . . 0.0 108.996 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 pp -146.4 135.08 22.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -0.856 . . . . 0.0 108.894 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.626 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 37.5 t80 -102.13 103.97 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.616 ' HZ2' ' CB ' ' A' ' 36' ' ' PRO . 39.3 tttm -102.19 133.98 46.18 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 29.5 p90 -154.93 152.66 29.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 110.524 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mm -80.78 108.05 13.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -81.46 167.82 18.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.166 -0.959 . . . . 0.0 109.788 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.05 20.97 0.08 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 0.0 109.878 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.525 ' H ' ' C ' ' A' ' 31' ' ' ASP . 35.3 m-85 -95.36 -39.85 9.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 108.937 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' OE2' ' A' ' 35' ' ' GLU . . . 125.82 15.31 2.93 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE2' ' N ' ' A' ' 34' ' ' GLY . 2.0 pm0 -160.61 137.74 6.74 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 120.821 -1.399 . . . . 0.0 110.132 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.616 ' CB ' ' HZ2' ' A' ' 28' ' ' LYS . 93.6 Cg_exo -40.79 165.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.415 2.077 . . . . 0.0 113.005 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -138.58 125.14 20.69 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -93.92 134.78 35.94 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.934 0.873 . . . . 0.0 112.27 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.7 t -135.41 109.96 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -99.24 169.07 9.63 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.002 -1.061 . . . . 0.0 112.141 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.33 -151.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -149.65 -32.94 0.2 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.847 -1.158 . . . . 0.0 108.441 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 13.2 mtpp -99.53 127.82 45.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.532 -0.73 . . . . 0.0 110.072 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.3 -32.33 66.48 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -139.86 156.78 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' OG ' ' A' ' 59' ' ' SER . . . -70.17 67.74 0.31 Allowed 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.89 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' VAL . 17.6 m -152.12 -35.3 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 10.2 m-20 -67.44 -160.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.655 . . . . 0.0 109.474 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.571 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -135.05 -155.72 0.67 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.207 -0.933 . . . . 0.0 109.4 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 50' ' ' VAL . 14.1 m -152.8 122.52 3.35 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.195 -0.941 . . . . 0.0 108.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -44.81 135.52 10.04 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.565 1.51 . . . . 0.0 112.161 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.54 144.5 10.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.416 -0.802 . . . . 0.0 109.67 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.89 -18.2 57.93 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 1.3 mptm? -87.21 161.16 18.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -1.168 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -80.04 134.11 36.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.322 -0.861 . . . . 0.0 109.381 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -63.47 149.91 44.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.12 -0.987 . . . . 0.0 109.259 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.39 164.62 19.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.103 -0.998 . . . . 0.0 109.641 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.0 pt -72.23 -144.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -111.81 144.78 40.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.459 -0.775 . . . . 0.0 108.987 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 tp -52.26 -12.4 0.25 Allowed 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 59' ' ' SER . 9.2 mmt180 -80.93 -36.28 31.26 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -74.67 -42.93 57.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -57.3 -43.09 82.9 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.06 -50.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -26.13 38.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.492 -0.755 . . . . 0.0 110.442 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 70' ' ' ASP . 39.1 mm-40 -73.22 -32.22 64.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.081 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.6 -46.87 71.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.129 -0.982 . . . . 0.0 108.821 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -84.9 33.45 0.53 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -161.4 -37.7 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.344 -0.847 . . . . 0.0 110.048 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 66' ' ' GLU . 26.3 t0 -85.86 -45.48 11.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.06 -1.025 . . . . 0.0 109.706 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 N--CA 1.495 1.779 0 O-C-N 121.214 -0.929 . . . . 0.0 109.378 -179.795 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.595 1 O4'-C1'-N19 111.597 4.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.53 ' N1 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.888 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.513 " C3'" HH12 ' A' ' 5' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.403 4.504 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.599 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.739 3.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.611 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.998 3.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.611 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.771 1 O4'-C1'-N19 111.837 5.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.537 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.692 1 O4'-C1'-N19 111.391 4.489 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.605 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.605 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.166 4.208 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.579 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.947 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.579 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.129 1 O4'-C1'-N19 111.619 4.773 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.477 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.71 3.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.464 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.48 3.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.519 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.525 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.824 3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.547 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.999 1 O4'-C1'-N19 111.85 5.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.547 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.575 4.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.676 ' H72' ' OP2' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.095 0 C3'-C2'-C1' 106.969 3.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.496 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.493 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.701 3.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.54 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.49 4.613 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.701 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.441 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.701 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.567 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.597 4.746 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 0 O4'-C1'-N19 110.289 3.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -166.71 1.17 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.962 . . . . 0.0 109.015 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -79.33 161.02 26.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.097 -1.002 . . . . 0.0 109.481 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 10' ' ' GLY . 12.3 mtm180 -135.03 167.54 20.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.533 -0.729 . . . . 0.0 109.197 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.556 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 5.5 p-10 -84.19 -147.09 0.09 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 110.573 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.611 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 88.9 m-20 -89.98 -12.9 37.32 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.71 -0.619 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' H ' ' CG ' ' A' ' 7' ' ' ASP . 21.6 mmt180 -104.92 -96.99 0.33 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.395 -0.815 . . . . 0.0 109.553 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.525 ' O ' ' NH1' ' A' ' 6' ' ' ARG . . . -157.4 13.49 0.29 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -84.34 168.67 15.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.154 -1.203 . . . . 0.0 109.278 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mm -102.68 124.86 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.19 -0.944 . . . . 0.0 109.887 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 mt -88.64 140.13 29.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 108.42 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -88.93 156.36 18.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.122 -0.987 . . . . 0.0 109.067 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -51.92 123.77 11.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.133 -0.979 . . . . 0.0 109.068 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.434 ' N ' ' OP2' ' B' ' 103' ' ' ' DG' . . . 111.81 -27.63 10.2 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -91.01 158.0 16.94 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.354 -1.086 . . . . 0.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p -176.9 -164.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.611 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 2.6 pt20 -142.69 128.02 18.82 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.222 -0.923 . . . . 0.0 109.371 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -69.45 -149.5 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 109.443 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -91.31 -22.02 20.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.318 -0.864 . . . . 0.0 109.825 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.49 -1.24 45.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.215 -0.928 . . . . 0.0 109.943 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.33 -14.64 57.25 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.511 HH22 ' P ' ' C' ' 118' ' ' ' DT' . 8.9 ptp180 -67.79 143.16 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -1.19 . . . . 0.0 109.251 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -75.22 153.02 38.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.152 -0.967 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -145.9 135.45 23.17 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.099 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.84 110.38 18.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.534 -0.729 . . . . 0.0 109.26 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -93.42 140.25 29.78 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.506 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 14.6 p90 -154.39 137.73 15.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 109.513 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -77.36 125.47 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.0 109.262 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -81.79 -166.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.918 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 p -79.72 -0.96 36.39 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.393 -0.817 . . . . 0.0 110.029 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -93.54 -30.15 15.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.263 -0.898 . . . . 0.0 109.117 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.71 35.14 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -109.29 115.23 56.76 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.648 -0.913 . . . . 0.0 109.551 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -43.49 135.41 6.61 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.944 1.762 . . . . 0.0 112.366 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 36.8 tt0 -116.55 133.42 56.03 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.578 -0.701 . . . . 0.0 109.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.28 147.89 23.31 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 122.035 0.921 . . . . 0.0 111.03 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.95 110.81 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.76 160.63 14.14 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.022 -1.049 . . . . 0.0 111.537 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.8 p -174.54 159.7 2.99 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -101.0 -36.35 9.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.073 -1.017 . . . . 0.0 109.769 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -92.1 145.6 24.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.078 -1.013 . . . . 0.0 110.419 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.3 tp -86.07 -25.27 25.95 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 m -145.8 150.13 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.67 66.71 0.74 Allowed 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.835 -1.165 . . . . 0.0 110.211 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.9 m -149.54 -32.46 0.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -65.79 -148.76 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -140.58 -163.05 1.45 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.016 -1.053 . . . . 0.0 109.542 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -156.15 123.08 2.67 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.424 -0.798 . . . . 0.0 109.141 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.86 137.34 4.35 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.806 1.67 . . . . 0.0 112.321 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.38 8.14 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.329 -0.857 . . . . 0.0 109.53 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.91 -16.95 57.24 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 4.0 mptt -87.25 151.56 23.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -1.126 . . . . 0.0 108.995 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.42 126.23 30.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.139 -0.976 . . . . 0.0 108.451 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -56.56 145.1 29.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.383 -0.823 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.93 158.52 40.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.8 pt -73.57 168.85 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.22 155.07 41.01 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.974 -1.079 . . . . 0.0 108.441 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.45 -37.05 67.23 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.409 -0.917 . . . . 0.0 108.76 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -56.8 -31.08 64.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -179.396 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.77 -42.84 57.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.52 -1.363 . . . . 0.0 108.106 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ILE . 47.1 mttm -63.15 -63.52 1.17 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.44 ' O ' ' OE1' ' A' ' 68' ' ' GLN . 15.0 mt -38.61 -45.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 CA-C-O 121.314 0.578 . . . . 0.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.06 71.83 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.46 -28.56 61.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.806 -1.183 . . . . 0.0 109.564 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -35.68 80.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 109.06 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 64' ' ' ILE . 12.1 mp0 -79.81 -49.53 11.86 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -76.53 -109.02 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.31 -0.869 . . . . 0.0 108.872 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -158.9 -104.87 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.813 . . . . 0.0 109.15 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.458 ' O ' ' CG2' ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.924 1 O4'-C1'-N19 111.892 5.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.748 0 O4'-C1'-N19 110.69 3.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.538 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.552 4.69 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.588 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.389 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.588 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.009 4.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.572 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.09 4.112 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.572 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.494 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.654 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.654 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.13 4.163 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.46 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.411 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.527 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 C3'-C2'-C1' 107.023 3.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.442 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.442 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.853 3.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.762 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.894 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.762 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.402 1 O4'-C1'-N19 112.276 5.595 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.7 ' OP2' ' H71' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.686 0 C3'-C2'-C1' 107.084 3.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.597 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.757 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.597 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.502 H2'' " O5'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.697 0 C3'-C2'-C1' 107.167 3.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.57 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 111.721 4.901 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.63 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.693 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.63 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.834 1 O4'-C1'-N19 111.815 5.019 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.544 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.613 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.544 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.18 135.32 6.08 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.924 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -80.67 130.34 35.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 5.0 tpp180 -104.65 158.14 16.7 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.41 -0.806 . . . . 0.0 109.495 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -82.11 -157.82 0.22 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -0.921 . . . . 0.0 109.536 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -90.94 -8.73 48.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -105.23 -95.31 0.34 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.81 12.53 0.38 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' ' CD ' ' A' ' 6' ' ' ARG . 66.5 mtm180 -83.88 -162.86 0.69 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -1.127 . . . . 0.0 109.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -134.9 123.23 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.271 -0.893 . . . . 0.0 109.266 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.61 148.99 23.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -0.929 . . . . 0.0 108.846 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.75 169.54 11.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.09 -1.006 . . . . 0.0 109.181 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.428 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 6.8 m -62.31 105.63 0.64 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.86 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.78 -39.06 1.61 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mp0 -89.36 144.28 26.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.238 -1.154 . . . . 0.0 110.254 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -160.33 -167.74 1.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.05 149.53 38.35 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.071 -1.018 . . . . 0.0 109.658 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -93.1 -151.15 0.29 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.881 . . . . 0.0 109.439 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -80.79 -21.38 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.301 -0.874 . . . . 0.0 109.669 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -80.59 -1.44 42.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.65 -15.56 13.69 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 120.069 -1.062 . . . . 0.0 110.484 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.53 160.79 26.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.863 -1.375 . . . . 0.0 108.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -82.99 153.32 25.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -0.905 . . . . 0.0 110.544 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -140.96 115.43 9.45 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CE2' ' CD2' ' A' ' 29' ' ' TYR . 31.3 t80 -104.0 101.73 11.5 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' NZ ' ' O6 ' ' B' ' 103' ' ' ' DG' . 26.5 tttt -95.46 133.4 39.47 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 20.7 p90 -155.48 137.68 14.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.898 -1.126 . . . . 0.0 109.963 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.9 mm -79.34 121.13 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.524 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -79.58 179.41 7.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.0 109.848 -179.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -68.56 8.63 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' A' ' 31' ' ' ASP . 15.6 m-85 -99.87 -27.86 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.24 -0.32 54.16 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.28 116.05 61.98 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.467 -1.02 . . . . 0.0 109.408 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -43.1 157.98 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.764 1.643 . . . . 0.0 112.42 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -135.33 136.9 41.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.513 -0.742 . . . . 0.0 109.008 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -107.27 133.87 51.19 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.373 -0.829 . . . . 0.0 111.245 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.87 120.61 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -100.99 163.46 12.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.167 -0.958 . . . . 0.0 110.857 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.94 138.34 0.12 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -88.22 -36.57 16.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.022 -1.049 . . . . 0.0 108.369 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -92.89 135.44 34.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.709 -0.62 . . . . 0.0 109.72 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.9 tp -85.0 -25.19 27.87 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.082 -1.011 . . . . 0.0 108.598 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.55 ' N ' ' OG ' ' A' ' 59' ' ' SER . 2.0 m -142.11 148.91 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.59 63.06 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.228 -0.92 . . . . 0.0 110.684 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.78 -31.5 0.16 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.99 -162.41 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.752 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -139.08 -160.1 1.03 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.279 -0.888 . . . . 0.0 109.224 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.3 m -154.08 131.13 5.93 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -38.15 131.42 0.93 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.904 1.736 . . . . 0.0 112.284 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.29 145.83 4.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.614 -0.679 . . . . 0.0 109.765 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 -23.5 33.69 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.54 157.08 19.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.058 -1.26 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -78.28 137.46 38.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.349 -0.844 . . . . 0.0 109.732 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.45 160.93 29.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.239 -0.913 . . . . 0.0 109.11 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 155.69 16.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 108.983 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.8 pt -70.93 141.98 16.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -51.61 153.0 2.49 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.53 -179.176 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' CD2' ' CD1' ' A' ' 64' ' ' ILE . 3.0 tt -49.36 -42.52 42.25 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.929 -0.482 . . . . 0.0 110.022 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -52.0 -30.19 24.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 110.482 -179.147 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.29 -38.11 60.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.548 -1.345 . . . . 0.0 108.565 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -69.96 -41.84 73.97 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 1.3 mt -63.15 -45.39 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.9 -27.43 42.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.48 -0.763 . . . . 0.0 110.106 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -73.1 -34.82 66.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.93 -1.107 . . . . 0.0 108.495 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 69' ' ' LYS . 14.5 mt -68.98 -42.56 76.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.207 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.89 20.99 0.72 Allowed 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 70' ' ' ASP . 2.2 tmtm? -158.72 -101.16 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.518 ' N ' ' CD ' ' A' ' 69' ' ' LYS . 60.0 t0 -159.28 -117.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.498 -1.376 . . . . 0.0 109.264 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.2 pt . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.261 -0.899 . . . . 0.0 109.198 179.724 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 111.932 5.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.603 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.003 0 O4'-C1'-N19 110.555 3.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.603 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.654 1 O4'-C1'-N19 111.535 4.668 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.574 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 O4'-C1'-N19 110.82 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 111.469 4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.621 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.024 1 O4'-C1'-N19 111.683 4.853 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.498 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.581 1 O4'-C1'-N19 111.24 4.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.631 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 0 O4'-C1'-N19 110.708 3.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.631 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.272 4.34 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.51 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.824 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.51 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.075 1 O4'-C1'-N19 111.428 4.534 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.648 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.313 3.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.616 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.056 1 O4'-C1'-N19 111.672 4.84 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.621 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.329 1 O4'-C1'-N19 112.135 5.418 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.707 ' OP2' ' H71' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.369 0 O4'-C1'-N19 110.321 3.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.656 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.656 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.694 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.504 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.41 3.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.634 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.656 4.819 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.649 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.649 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.931 5.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.494 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -64.57 158.98 22.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.273 -0.892 . . . . 0.0 109.139 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -81.82 150.48 27.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.318 -0.864 . . . . 0.0 109.274 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -113.22 168.88 9.35 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.492 -0.755 . . . . 0.0 109.68 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 9' ' ' ARG . 42.5 p-10 -82.99 -166.37 1.32 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 109.709 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.657 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.0 OUTLIER -73.54 17.1 0.16 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 109.673 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.495 ' H ' ' C ' ' A' ' 7' ' ' ASP . 3.6 mmp_? -133.99 -101.62 0.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.345 -0.847 . . . . 0.0 109.305 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.26 11.45 0.89 Allowed Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' CB ' ' A' ' 44' ' ' LEU . 5.7 mtp180 -83.6 161.98 20.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -1.064 . . . . 0.0 109.14 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.66 120.16 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.303 -0.873 . . . . 0.0 110.238 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.22 142.1 28.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.291 -0.88 . . . . 0.0 108.67 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -89.44 151.77 21.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.471 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -48.61 104.79 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.132 -0.98 . . . . 0.0 109.457 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.99 -44.9 0.83 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -90.91 152.43 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.428 -1.043 . . . . 0.0 109.436 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -160.73 -164.83 1.27 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.889 . . . . 0.0 109.532 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.52 HE22 ' CG ' ' A' ' 8' ' ' ASN . 30.0 tt0 -147.44 126.35 12.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.274 -0.891 . . . . 0.0 109.442 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.04 -163.71 0.52 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.305 -0.872 . . . . 0.0 109.98 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -78.74 -18.11 54.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.545 -0.722 . . . . 0.0 109.792 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 9.6 m-20 -80.35 -6.65 58.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.15 -0.969 . . . . 0.0 109.919 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.44 -23.2 23.27 Favored Glycine 0 N--CA 1.496 2.653 0 C-N-CA 120.139 -1.029 . . . . 0.0 110.799 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NH1' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -67.93 153.7 43.17 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.753 -1.439 . . . . 0.0 108.879 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -79.47 159.02 27.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.306 -0.871 . . . . 0.0 109.495 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -142.47 118.28 10.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.441 -0.787 . . . . 0.0 109.033 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 48.2 t80 -104.51 103.92 13.69 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -99.41 134.13 42.72 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 43.3 p90 -156.83 148.09 22.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.98 -1.075 . . . . 0.0 110.341 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.65 116.37 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 33' ' ' PHE . 10.1 p30 -79.86 173.81 12.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.199 -0.938 . . . . 0.0 109.644 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.1 m -68.63 13.62 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.307 -0.871 . . . . 0.0 110.114 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.7 m-85 -98.87 -31.68 11.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 0.0 108.813 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.05 26.62 6.94 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -143.56 118.79 6.28 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.502 -0.999 . . . . 0.0 108.684 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -42.35 154.61 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.81 1.673 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.1 tt0 -130.49 135.0 47.52 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -100.88 134.84 43.26 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.69 0.757 . . . . 0.0 111.247 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.4 t -136.98 115.84 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -102.2 160.71 14.29 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.202 -0.936 . . . . 0.0 111.45 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -170.38 160.8 7.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.619 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 77.7 m95 -106.52 -29.63 9.55 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.116 -0.99 . . . . 0.0 108.746 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -101.34 138.46 38.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.52 -0.737 . . . . 0.0 110.04 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CB ' ' NH2' ' A' ' 11' ' ' ARG . 34.0 tp -84.7 -23.72 29.25 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -145.03 157.33 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 61.35 0.92 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.055 -1.028 . . . . 0.0 111.003 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 p -147.04 -33.39 0.29 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -67.79 -169.12 0.11 Allowed 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.447 -0.783 . . . . 0.0 108.933 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.3 -160.63 1.08 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.197 -0.939 . . . . 0.0 109.303 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.9 m -153.5 134.54 8.35 Favored Pre-proline 0 N--CA 1.496 1.825 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -37.51 148.9 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.843 1.696 . . . . 0.0 112.926 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.1 127.1 29.72 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.949 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.14 -5.02 41.56 Favored Glycine 0 N--CA 1.501 3.027 0 O-C-N 121.216 -0.928 . . . . 0.0 110.788 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.619 ' NZ ' ' CE2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -85.92 164.06 17.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.852 -1.381 . . . . 0.0 108.874 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -79.12 112.78 16.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.003 -1.06 . . . . 0.0 108.388 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.52 159.13 6.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 0.0 110.296 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.72 164.27 8.05 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 pt -70.63 -163.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 p -96.77 156.02 16.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.04 -39.94 60.35 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -31.3 69.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.87 . . . . 0.0 110.322 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -75.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.478 -1.389 . . . . 0.0 108.318 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -66.23 -52.52 46.94 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mt -52.04 -40.38 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.61 -35.29 63.25 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.64 -34.48 67.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.015 -1.053 . . . . 0.0 109.25 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.5 mt -69.95 -21.75 63.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.51 -0.744 . . . . 0.0 109.159 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -81.42 7.69 11.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.433 -0.792 . . . . 0.0 109.116 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -163.4 -95.57 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.396 -0.815 . . . . 0.0 109.157 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -154.1 -89.82 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.119 -0.988 . . . . 0.0 109.34 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.51 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 10.9 mt . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.263 -0.898 . . . . 0.0 109.177 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.627 1 O4'-C1'-N19 112.423 5.778 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.465 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.683 3.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.465 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.066 1 O4'-C1'-N19 111.602 4.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.571 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.284 0 O4'-C1'-N19 110.697 3.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.608 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.991 3.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.608 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.725 4.906 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.594 1 O4'-C1'-N19 111.188 4.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.61 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.61 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.633 0 O4'-C1'-N19 110.969 3.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.626 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.626 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.139 1 O4'-C1'-N19 111.423 4.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.46 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.429 3.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.632 3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.621 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.166 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.536 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.275 1 O4'-C1'-N19 111.753 4.941 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.622 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.366 3.207 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.622 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.21 4.262 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.592 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.56 3.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.406 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.454 3.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.609 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.672 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.672 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.532 4.665 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.596 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.609 1 O4'-C1'-N19 111.419 4.524 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.594 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.757 3.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.44 173.13 11.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.179 -0.951 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -85.36 -154.99 0.21 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.415 -0.803 . . . . 0.0 109.572 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -128.7 173.84 9.96 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -82.72 -155.5 0.16 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.116 -0.99 . . . . 0.0 109.655 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.651 ' N ' HE22 ' A' ' 19' ' ' GLN . 13.1 m120 -77.69 -6.3 53.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.378 -0.826 . . . . 0.0 109.495 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.557 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -107.29 -110.87 0.3 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.404 -0.81 . . . . 0.0 109.09 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.12 7.55 1.19 Allowed Glycine 0 N--CA 1.497 2.726 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -86.42 151.07 23.84 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.638 -0.919 . . . . 0.0 109.604 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mm -87.32 135.62 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.268 -0.895 . . . . 0.0 110.767 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.96 166.26 13.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -90.08 149.53 22.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.969 -1.082 . . . . 0.0 108.795 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -45.33 150.7 0.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.044 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' N ' ' OP2' ' B' ' 103' ' ' ' DG' . . . 88.01 -36.22 3.42 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -88.22 156.45 19.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.251 -1.147 . . . . 0.0 110.239 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 p -173.01 -164.14 0.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.651 HE22 ' N ' ' A' ' 8' ' ' ASN . 3.9 pt20 -141.13 138.32 33.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.114 -0.991 . . . . 0.0 108.928 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.627 HH12 ' N6 ' ' C' ' 120' ' ' ' DA' . 13.8 ttp180 -77.99 -151.08 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.949 . . . . 0.0 109.787 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -89.72 -20.66 23.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.444 -0.785 . . . . 0.0 109.834 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 20' ' ' ARG . 4.4 m-20 -80.55 3.54 21.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 110.173 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.42 -16.5 18.01 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -68.46 156.22 38.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -1.196 . . . . 0.0 109.14 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -77.23 152.75 34.57 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 tp -141.58 130.73 23.39 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.4 t80 -131.99 95.14 3.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.576 -0.702 . . . . 0.0 109.124 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -101.48 140.2 36.1 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 55.6 p90 -153.45 152.38 30.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.852 -1.155 . . . . 0.0 110.315 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.417 ' C ' ' H ' ' A' ' 32' ' ' SER . 3.7 mm -77.76 119.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 10.2 p-10 -80.25 38.06 0.4 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.201 -0.937 . . . . 0.0 110.24 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 30' ' ' ILE . 7.9 t 57.3 3.69 0.17 Allowed 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.728 -0.608 . . . . 0.0 110.502 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 31' ' ' ASP . 14.8 m-85 -97.1 -29.82 13.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.111 -0.993 . . . . 0.0 108.725 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.86 32.8 1.98 Allowed Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -157.55 109.76 1.83 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.392 -1.064 . . . . 0.0 108.812 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -42.73 158.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.091 1.861 . . . . 0.0 113.005 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -130.15 98.54 4.77 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 4.7 m-85 -72.17 142.86 49.07 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.989 0.9 . . . . 0.0 112.026 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.19 119.71 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -103.16 142.27 34.43 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.052 -1.03 . . . . 0.0 111.308 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -163.39 162.11 24.73 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -109.5 -35.57 6.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.108 -0.995 . . . . 0.0 108.666 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.7 mtmt -96.37 127.92 42.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 110.105 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.7 tp -74.99 -17.23 60.56 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -145.1 153.03 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.32 63.56 1.96 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.182 -0.949 . . . . 0.0 109.492 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -150.3 -34.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -163.28 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.429 -0.794 . . . . 0.0 109.3 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -128.72 -161.12 1.08 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.363 -0.836 . . . . 0.0 109.483 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -156.86 121.75 2.38 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.449 -0.782 . . . . 0.0 109.222 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -43.53 143.47 2.55 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.842 1.694 . . . . 0.0 112.507 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.18 154.79 7.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.472 -0.767 . . . . 0.0 109.682 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.06 -15.29 56.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.2 mptt -87.47 153.08 21.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.115 -1.226 . . . . 0.0 109.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' NH1' " O3'" ' B' ' 112' ' ' ' DT' . 11.9 tpt180 -80.7 146.54 31.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 108.735 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -75.69 158.9 31.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.17 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.514 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -175.27 153.93 1.64 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.7 pt -72.37 153.82 7.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 O-C-N 120.808 -1.183 . . . . 0.0 108.064 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 p -48.15 170.16 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.186 -0.946 . . . . 0.0 110.096 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.9 tp -68.6 -42.94 77.44 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.33 -0.856 . . . . 0.0 109.704 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -76.7 -41.91 43.52 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 120.644 -1.285 . . . . 0.0 107.814 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -66.33 -62.33 1.53 Allowed 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 mt -42.49 -42.73 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.18 -40.19 67.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.21 -0.931 . . . . 0.0 110.321 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -73.95 -35.63 64.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.941 -1.1 . . . . 0.0 109.512 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 69' ' ' LYS . 14.8 mt -67.4 -30.0 69.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -79.75 27.8 0.28 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.197 -0.94 . . . . 0.0 108.532 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' A' ' 67' ' ' LEU . 37.2 mttp -155.75 -113.4 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -158.26 -45.72 0.06 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.199 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.2 tp . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.463 1 O4'-C1'-N19 112.308 5.635 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.671 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.878 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.671 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.32 4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.564 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.041 0 O4'-C1'-N19 110.563 3.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.564 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.08 4.1 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.545 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.545 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.261 4.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.591 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.822 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.591 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.502 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.502 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.055 1 O4'-C1'-N19 111.415 4.518 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.432 " O3'" ' NH1' ' A' ' 55' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.677 0 C3'-C2'-C1' 106.972 3.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.501 0 C3'-C2'-C1' 106.987 3.062 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.482 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.652 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 1 O4'-C1'-N19 111.81 5.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.652 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.124 1 O4'-C1'-N19 112.535 5.919 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.659 ' OP2' ' H73' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.442 3.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.586 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.627 ' N6 ' HH12 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.483 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.671 0 O4'-C1'-N19 110.453 3.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.583 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.74 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.689 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.521 3.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.689 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.465 4.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.602 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.359 4.449 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.602 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 5' ' ' ARG . 21.6 tptt -67.8 -65.32 0.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.289 -0.882 . . . . 0.0 109.043 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 4' ' ' LYS . 36.9 ttm180 58.5 150.06 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.349 0.595 . . . . 0.0 110.012 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -135.09 160.55 37.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.445 -0.784 . . . . 0.0 109.692 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 15.1 p-10 -81.76 176.45 9.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.315 -0.866 . . . . 0.0 109.396 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.484 ' ND2' ' OE1' ' A' ' 19' ' ' GLN . 58.7 m-20 -73.65 33.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.208 -0.932 . . . . 0.0 109.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.519 ' H ' ' C ' ' A' ' 7' ' ' ASP . 6.6 mmt180 -135.3 -56.92 0.8 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.397 -0.814 . . . . 0.0 109.291 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.51 -0.15 0.18 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -81.47 -164.84 0.83 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.288 . . . . 0.0 109.391 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mm -126.06 121.75 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.447 -0.783 . . . . 0.0 109.742 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 mt -90.39 139.52 30.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.16 -0.963 . . . . 0.0 108.867 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' THR . 11.8 mmtp -89.06 164.86 14.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.107 -0.996 . . . . 0.0 108.935 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 17' ' ' GLU . 2.7 t -48.83 172.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.983 -1.073 . . . . 0.0 108.87 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.76 -42.2 0.34 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 15' ' ' THR . 52.3 mt-10 -91.18 148.65 22.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -1.148 . . . . 0.0 109.778 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -165.36 -138.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.847 . . . . 0.0 109.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.484 ' OE1' ' ND2' ' A' ' 8' ' ' ASN . 3.4 tt0 -157.76 132.54 8.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.0 109.695 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.541 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 7.2 ttp180 -75.6 -152.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.828 0.823 . . . . 0.0 110.453 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.6 mtpm? -95.56 -25.06 16.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.772 -0.58 . . . . 0.0 109.916 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' OD2' ' NH2' ' A' ' 20' ' ' ARG . 70.8 m-20 -82.6 10.98 6.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.197 -0.939 . . . . 0.0 109.904 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 82.27 -18.06 15.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.491 HH22 ' P ' ' C' ' 118' ' ' ' DT' . 11.4 ptp180 -67.36 155.67 38.36 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.96 -1.318 . . . . 0.0 109.018 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -73.99 145.14 44.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.034 -1.041 . . . . 0.0 109.77 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -124.9 124.97 43.2 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 38.9 t80 -115.39 97.04 5.94 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -95.01 127.86 41.4 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 21.4 p90 -155.86 153.0 29.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 110.205 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mm -91.94 123.27 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.527 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -79.39 169.78 17.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.032 -1.043 . . . . 0.0 109.976 -179.348 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -65.57 8.37 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.539 -0.726 . . . . 0.0 110.159 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.6 m-85 -98.08 -29.2 13.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.105 -0.997 . . . . 0.0 108.804 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 28.43 6.75 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -137.0 114.39 9.95 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -43.62 137.37 6.09 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.731 1.621 . . . . 0.0 112.267 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.527 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 7.5 tt0 -121.8 134.37 54.91 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.576 -0.703 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.84 135.55 43.2 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.567 0.698 . . . . 0.0 110.903 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.58 112.07 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -101.43 153.44 19.68 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.197 -0.94 . . . . 0.0 111.362 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.34 169.27 14.24 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -113.87 -36.83 4.69 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.191 -0.943 . . . . 0.0 109.72 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -91.63 120.08 32.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.31 -33.38 75.83 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -137.84 157.14 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 66.14 0.35 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.771 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 9.2 m -152.43 -30.95 0.15 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -163.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.471 -0.768 . . . . 0.0 109.559 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -130.77 -172.07 2.72 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.483 -0.76 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 m -156.61 134.18 6.88 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.289 -0.882 . . . . 0.0 109.563 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -40.01 133.73 1.88 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.827 1.684 . . . . 0.0 112.025 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -32.13 64.78 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.205 -0.935 . . . . 0.0 110.652 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.9 -7.73 86.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -92.09 162.44 14.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.076 -1.25 . . . . 0.0 109.282 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -79.29 117.07 19.94 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.435 -0.79 . . . . 0.0 109.86 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -54.9 151.16 9.01 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.247 -0.908 . . . . 0.0 108.949 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.05 167.4 18.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.144 -0.973 . . . . 0.0 109.358 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 pt -70.87 -162.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.434 ' HG ' ' H ' ' A' ' 62' ' ' GLU . 3.8 p -100.25 145.13 28.46 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' SER . 17.3 tp -45.89 -38.15 7.11 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -59.3 -30.86 68.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.434 ' H ' ' HG ' ' A' ' 59' ' ' SER . 61.1 mm-40 -77.36 -40.72 42.93 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.131 . . . . 0.0 108.556 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -64.78 -40.62 95.55 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mt -61.21 -45.71 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.52 -26.81 55.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 110.282 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.97 -36.96 67.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.972 -1.08 . . . . 0.0 109.287 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.31 -27.19 65.16 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.433 -0.792 . . . . 0.0 109.371 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -83.16 -32.41 26.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.456 -0.778 . . . . 0.0 110.325 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -77.49 -121.97 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.727 -1.233 . . . . 0.0 109.613 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -161.41 83.23 0.62 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.464 -0.772 . . . . 0.0 109.803 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 mm . . . . . 0 N--CA 1.495 1.801 0 O-C-N 120.943 -1.098 . . . . 0.0 109.419 179.755 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.694 4.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.568 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.824 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.568 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.532 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.588 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.444 0 O4'-C1'-N19 110.699 3.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.596 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.869 3.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.596 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.618 1 O4'-C1'-N19 111.642 4.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.305 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.643 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.631 3.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.643 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.332 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.554 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.554 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.226 1 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.439 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.421 3.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.331 3.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.641 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.54 3.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.641 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.569 1 O4'-C1'-N19 111.069 4.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.65 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.65 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.57 4.712 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.581 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.539 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.581 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.717 0 C3'-C2'-C1' 107.318 3.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.54 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.643 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.443 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.643 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.832 5.041 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.57 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.266 4.332 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.57 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -83.79 103.09 12.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.06 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -80.64 162.44 24.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.165 -0.959 . . . . 0.0 109.533 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.67 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -126.6 153.53 45.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.513 -0.742 . . . . 0.0 109.376 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 24.1 p-10 -82.41 -171.28 3.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.299 -0.875 . . . . 0.0 109.323 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -85.73 15.38 4.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.556 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.03 -88.04 0.55 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.527 -0.733 . . . . 0.0 109.45 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.18 -2.26 0.06 OUTLIER Glycine 0 N--CA 1.493 2.456 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -170.26 2.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.82 -1.4 . . . . 0.0 108.275 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mm -129.62 130.1 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.324 -0.86 . . . . 0.0 109.362 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.41 141.27 28.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 109.303 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -89.21 175.61 7.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.139 -0.976 . . . . 0.0 108.685 179.774 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -67.54 57.28 0.06 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.071 -1.018 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -169.26 -34.86 0.02 OUTLIER Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' O ' ' OG ' ' A' ' 18' ' ' SER . 49.3 mt-10 -90.73 150.86 21.46 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.379 -1.071 . . . . 0.0 110.102 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 6.0 m -166.99 -154.76 0.17 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' OE1' ' N ' ' A' ' 19' ' ' GLN . 1.1 pm0 -155.31 155.58 33.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.982 -1.074 . . . . 0.0 110.081 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.633 HH12 ' N6 ' ' B' ' 105' ' ' ' DA' . 2.5 mmp_? -90.87 -162.87 0.95 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.423 -0.798 . . . . 0.0 109.699 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -76.11 -21.12 57.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.571 -0.706 . . . . 0.0 109.764 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.03 -1.46 44.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.256 -0.903 . . . . 0.0 109.915 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.11 -9.98 64.79 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.41 157.12 34.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -1.199 . . . . 0.0 108.544 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -79.88 153.28 29.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.055 -1.028 . . . . 0.0 109.928 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -141.87 115.45 9.05 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -107.94 106.56 16.87 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 tttp -96.91 139.49 32.86 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.531 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 23.8 p90 -154.14 129.8 10.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.95 -1.094 . . . . 0.0 109.76 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.81 117.58 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.527 -0.733 . . . . 0.0 109.114 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 33' ' ' PHE . 8.2 p30 -80.14 171.39 15.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 t -66.7 11.11 0.1 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.419 -0.8 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.543 ' H ' ' C ' ' A' ' 31' ' ' ASP . 32.3 m-85 -98.7 -29.51 12.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.768 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.35 30.39 5.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.82 116.97 5.36 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.415 -1.05 . . . . 0.0 109.127 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -42.33 137.81 3.46 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.87 1.713 . . . . 0.0 112.515 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.531 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 40.6 tt0 -113.71 142.63 45.79 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.54 -0.725 . . . . 0.0 109.147 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 11.5 m-85 -101.22 134.22 44.6 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.283 -0.886 . . . . 0.0 111.267 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -133.12 118.79 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -102.57 162.47 12.9 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.088 -1.007 . . . . 0.0 111.94 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -177.54 154.06 0.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -106.99 -30.18 8.99 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.17 -0.956 . . . . 0.0 108.661 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -96.24 118.7 33.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.478 -0.764 . . . . 0.0 110.022 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.61 -22.74 66.7 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.13 158.41 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.207 -0.933 . . . . 0.0 108.762 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.6 60.56 2.17 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.383 -0.823 . . . . 0.0 111.01 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -144.99 -38.95 0.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -163.48 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -141.07 162.49 35.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.045 -1.035 . . . . 0.0 109.169 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 m -83.66 130.3 56.31 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.662 -0.649 . . . . 0.0 109.441 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.26 138.39 1.26 Allowed 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.813 1.675 . . . . 0.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.98 137.46 21.17 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.247 -0.908 . . . . 0.0 109.503 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.25 -22.08 42.72 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.5 mptt -88.45 161.65 16.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.253 -1.145 . . . . 0.0 109.151 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.501 HH11 ' HG2' ' A' ' 55' ' ' ARG . 2.9 mtt-85 -80.85 177.34 9.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.799 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.55 158.73 18.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.883 . . . . 0.0 109.772 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.24 145.41 0.77 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 109.187 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 pt -72.77 152.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -52.12 156.75 1.52 Allowed 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.179 -0.951 . . . . 0.0 108.876 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -36.96 77.94 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.181 -0.949 . . . . 0.0 108.584 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -55.59 -28.73 56.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.326 -0.859 . . . . 0.0 110.033 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.21 -44.66 36.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.556 -1.34 . . . . 0.0 108.128 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -61.6 -59.02 5.84 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.5 mt -42.92 -44.45 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.414 0.626 . . . . 0.0 109.674 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.13 65.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.246 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -74.0 -38.41 64.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.85 -21.2 63.38 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.543 -0.723 . . . . 0.0 109.725 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -82.08 -44.27 16.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.889 . . . . 0.0 110.467 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HZ1' ' CB ' ' A' ' 69' ' ' LYS . 6.5 mtpm? -76.27 -130.33 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.298 0 O-C-N 120.843 -1.16 . . . . 0.0 109.355 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -164.7 72.04 0.2 Allowed 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.648 -0.658 . . . . 0.0 109.699 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.6 tt . . . . . 0 N--CA 1.495 1.805 0 O-C-N 120.857 -1.152 . . . . 0.0 110.023 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-N19 111.945 5.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.451 3.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.593 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.591 1 O4'-C1'-N19 111.74 4.925 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.63 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.253 0 O4'-C1'-N19 110.475 3.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.633 ' N6 ' HH12 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.872 3.84 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.567 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.499 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.567 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.658 4.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.663 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.661 3.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.663 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.322 1 O4'-C1'-N19 111.244 4.305 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.556 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.848 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.458 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.161 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.673 3.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.878 0 O4'-C1'-N19 110.283 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.606 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.485 3.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.606 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.541 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.802 5.003 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.541 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.162 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.713 ' H72' ' OP2' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.974 0 O4'-C1'-N19 110.422 3.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.497 ' N3 ' ' N1 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.033 4.042 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.537 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.569 H2'' " O5'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.829 0 C3'-C2'-C1' 107.249 3.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.569 " O5'" H2'' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.469 4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.637 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.637 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.996 1 O4'-C1'-N19 111.586 4.733 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.544 1 O4'-C1'-N19 111.363 4.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.638 3.548 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 3' ' ' GLU . 2.9 mp0 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.309 0.576 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -51.24 150.69 3.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.309 -0.87 . . . . 0.0 110.207 -179.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -84.13 172.51 11.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.108 -0.995 . . . . 0.0 109.189 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.02 159.74 34.1 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.476 -0.765 . . . . 0.0 109.126 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 48.7 p-10 -81.7 -162.86 0.57 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.097 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -87.76 -10.29 51.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.617 -0.677 . . . . 0.0 109.53 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -102.07 -91.01 0.34 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.275 -0.891 . . . . 0.0 109.38 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.9 11.96 0.07 OUTLIER Glycine 0 N--CA 1.491 2.333 0 C-N-CA 118.871 -1.633 . . . . 0.0 111.199 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 10.1 ptp180 -83.8 -163.71 0.81 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.602 -1.528 . . . . 0.0 108.436 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mm -137.45 120.03 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.161 -0.962 . . . . 0.0 108.616 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 1.6 mp -87.46 163.83 16.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.032 -1.043 . . . . 0.0 108.678 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -90.96 162.01 14.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.111 -0.993 . . . . 0.0 108.793 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 16' ' ' GLY . 24.1 m -47.95 161.5 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.994 -1.066 . . . . 0.0 109.236 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' N ' ' CG2' ' A' ' 15' ' ' THR . . . 87.65 -49.06 3.81 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' OE1' ' CD1' ' A' ' 27' ' ' TYR . 2.7 mm-40 -88.47 154.15 20.59 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.169 -1.195 . . . . 0.0 110.008 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 p 179.53 148.44 0.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.569 -0.707 . . . . 0.0 109.108 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -82.79 150.71 26.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.693 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.472 HH21 ' CG ' ' A' ' 22' ' ' ASP . 21.5 ttp180 -95.92 -141.35 0.27 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.27 -0.894 . . . . 0.0 109.58 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -94.03 -27.03 16.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.441 -0.787 . . . . 0.0 109.971 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.472 ' CG ' HH21 ' A' ' 20' ' ' ARG . 3.2 m-20 -83.49 10.47 8.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.166 -0.959 . . . . 0.0 109.946 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.53 -8.04 22.03 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.597 ' NH2' ' P ' ' C' ' 118' ' ' ' DT' . 97.3 mtt180 -69.23 147.2 51.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -1.063 . . . . 0.0 109.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -76.47 132.61 39.71 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 177.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tt -123.9 139.58 53.82 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.45 -0.782 . . . . 0.0 109.548 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD1' ' OE1' ' A' ' 17' ' ' GLU . 22.9 t80 -134.45 103.7 5.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -92.79 138.09 31.8 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.442 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 30.8 p90 -156.37 127.44 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.877 -1.14 . . . . 0.0 110.171 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.31 119.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 33' ' ' PHE . 9.9 p30 -79.15 169.19 18.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.976 . . . . 0.0 109.917 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.28 8.1 0.17 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.873 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.9 m-85 -97.99 -28.87 13.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.5 31.92 5.35 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -139.85 114.79 7.9 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.997 . . . . 0.0 109.517 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.44 132.08 9.5 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.756 1.637 . . . . 0.0 112.119 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -114.91 146.79 40.77 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.595 -0.691 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 9.2 m-85 -110.25 142.12 42.28 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.456 -0.778 . . . . 0.0 110.465 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 113.89 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -102.79 144.95 30.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.865 . . . . 0.0 110.775 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.45 154.19 9.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -97.02 -39.52 9.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.98 -1.075 . . . . 0.0 109.028 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -93.42 132.93 37.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.76 -0.588 . . . . 0.0 110.377 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 tp -77.87 -30.53 50.88 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.8 m -138.59 151.88 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.62 69.08 0.1 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.095 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 45' ' ' VAL . 29.2 m -148.59 -43.59 0.15 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -167.55 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -137.67 156.5 47.96 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.919 -1.113 . . . . 0.0 109.707 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.31 135.34 41.61 Favored Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.527 -0.733 . . . . 0.0 109.428 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -43.2 132.99 6.44 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.68 1.587 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.71 134.34 41.88 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.322 -0.861 . . . . 0.0 109.846 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.48 -16.96 56.12 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 110.019 -1.233 . . . . 0.0 110.019 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.4 mptt -88.79 171.25 10.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.139 -1.212 . . . . 0.0 109.683 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -77.79 166.51 22.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -85.47 149.17 25.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.38 -0.825 . . . . 0.0 109.426 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -167.21 153.48 8.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.858 . . . . 0.0 109.246 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.4 pt -71.21 -157.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -101.67 146.81 27.22 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.38 -47.84 18.71 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -54.13 -31.22 51.64 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.815 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -77.32 -38.28 50.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.854 -1.154 . . . . 0.0 108.356 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -64.21 -41.3 97.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.94 -41.03 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.08 62.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.525 -0.734 . . . . 0.0 109.94 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.35 -38.72 68.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.065 -1.022 . . . . 0.0 108.704 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.77 -24.42 64.42 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.61 -33.21 31.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -74.1 -103.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.343 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 71' ' ' ILE . 7.5 p30 -156.65 -41.76 0.07 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.26 -0.9 . . . . 0.0 109.756 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.483 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 59.6 mt . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.241 -0.912 . . . . 0.0 108.543 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.542 1 O4'-C1'-N19 112.629 6.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.504 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.892 0 O4'-C1'-N19 110.69 3.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.504 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 111.565 4.706 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.342 0 O4'-C1'-N19 110.74 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.633 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.855 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.633 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.866 5.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.523 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.212 4.264 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.61 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.61 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.356 4.445 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.459 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.922 0 O4'-C1'-N19 110.686 3.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.43 H2'' " O5'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.43 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.298 3.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.427 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.507 0 C3'-C2'-C1' 106.985 3.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.472 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C1'-N19 110.606 3.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.472 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.677 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.621 3.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.677 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.508 4.635 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.597 ' P ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.594 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.6 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.594 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.522 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 O4'-C1'-N19 110.354 3.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.593 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.696 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.696 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.568 4.71 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.584 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.712 1 O4'-C1'-N19 111.438 4.548 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.464 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -155.46 124.73 6.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.198 -0.939 . . . . 0.0 109.833 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.462 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 30.1 ttm180 -85.63 170.49 12.49 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.731 -0.606 . . . . 0.0 109.452 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.632 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -137.52 157.4 46.62 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.398 -0.813 . . . . 0.0 109.846 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -84.0 -161.75 0.57 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.328 -0.858 . . . . 0.0 109.506 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.631 ' N ' HE22 ' A' ' 19' ' ' GLN . 6.7 p30 -82.8 16.67 2.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 109.505 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.58 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -136.41 -104.22 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.386 -0.821 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.17 3.66 1.49 Allowed Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -83.72 150.01 26.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -1.11 . . . . 0.0 109.131 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -96.89 126.64 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.206 -0.934 . . . . 0.0 110.259 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.3 mt -92.15 147.21 23.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.284 -0.885 . . . . 0.0 108.935 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -90.01 156.29 18.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.04 -1.037 . . . . 0.0 108.868 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 m -47.64 147.78 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.002 -1.061 . . . . 0.0 109.364 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.08 -43.17 1.88 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 2.7 mp0 -91.56 155.59 18.26 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.253 -1.145 . . . . 0.0 109.934 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -168.41 -162.8 0.42 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.147 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.631 HE22 ' N ' ' A' ' 8' ' ' ASN . 3.5 pt20 -140.11 143.19 36.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.204 -0.935 . . . . 0.0 109.369 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.555 HH22 ' N6 ' ' B' ' 105' ' ' ' DA' . 0.1 OUTLIER -85.43 -144.24 0.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.38 -0.825 . . . . 0.0 110.311 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HZ1' ' CB ' ' A' ' 21' ' ' LYS . 3.3 mtpm? -95.41 -23.15 17.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.724 -0.61 . . . . 0.0 109.68 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.92 0.32 44.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.909 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.53 -17.95 41.05 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.556 HH22 ' P ' ' C' ' 118' ' ' ' DT' . 10.5 ptp180 -67.55 155.29 39.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.278 . . . . 0.0 109.081 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.19 147.91 36.19 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.221 -0.924 . . . . 0.0 109.821 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.57 115.71 12.47 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -105.56 107.91 19.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.654 ' HZ3' ' H61' ' C' ' 123' ' ' ' DA' . 17.6 tttt -100.99 138.39 38.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 34.5 p90 -155.0 142.15 19.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.907 -1.121 . . . . 0.0 109.984 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.0 mm -77.83 122.1 31.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.6 m-20 -77.56 171.39 14.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.942 . . . . 0.0 109.499 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.6 m -68.16 10.74 0.2 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -0.801 . . . . 0.0 109.817 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' H ' ' C ' ' A' ' 31' ' ' ASP . 42.3 m-85 -100.05 -32.36 10.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.245 -0.91 . . . . 0.0 108.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 32.13 3.8 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.64 116.22 6.92 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.358 -1.083 . . . . 0.0 109.07 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -43.08 154.16 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.813 1.675 . . . . 0.0 112.159 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.7 tt0 -134.96 140.39 45.67 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.471 -0.768 . . . . 0.0 109.33 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 8.1 m-85 -102.06 134.3 45.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.4 -0.812 . . . . 0.0 111.416 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.19 118.42 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 176.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -100.83 157.38 16.76 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.995 -1.066 . . . . 0.0 111.479 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 t -176.27 165.7 2.79 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -115.43 -32.39 5.61 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.227 -0.92 . . . . 0.0 108.959 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 58' ' ' ILE . 11.4 mtmm -95.26 131.11 41.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.522 -0.736 . . . . 0.0 110.266 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.08 -32.48 65.03 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.558 ' N ' ' OG ' ' A' ' 59' ' ' SER . 3.0 m -137.62 158.36 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.96 65.82 1.12 Allowed 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 m -150.02 -36.21 0.16 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.45 -161.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 49' ' ' ARG . 2.0 mmt-85 -136.03 -160.02 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 109.188 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.8 m -156.91 118.03 2.11 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.43 144.1 5.06 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.86 1.707 . . . . 0.0 112.639 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.21 158.48 1.56 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.528 -0.733 . . . . 0.0 109.682 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -18.95 40.2 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.0 mptt -87.96 150.0 23.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.297 -1.119 . . . . 0.0 109.021 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -80.06 121.27 25.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.177 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -51.34 154.88 1.58 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.24 -0.912 . . . . 0.0 109.846 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -174.89 160.79 2.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.382 -0.824 . . . . 0.0 108.97 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.519 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 10.8 pt -72.43 -176.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.558 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -85.5 144.97 27.63 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.997 -1.065 . . . . 0.0 108.439 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.02 -35.47 11.1 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 0.0 108.781 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -56.36 -28.82 60.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.521 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -77.69 -48.51 16.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.888 -1.133 . . . . 0.0 108.712 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -58.53 -45.28 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.9 mt -56.63 -43.33 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.61 -31.36 46.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.454 -0.779 . . . . 0.0 110.097 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -74.2 -38.32 63.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.041 -1.037 . . . . 0.0 109.276 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.89 -23.07 63.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.592 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -81.77 -44.55 16.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 109.968 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -75.7 -115.61 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.937 -1.102 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -159.09 9.34 0.12 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.462 -0.774 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.058 -1.026 . . . . 0.0 109.662 -179.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.761 4.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.533 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.616 3.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.533 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.653 4.816 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.593 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.313 0 O4'-C1'-N19 110.646 3.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.593 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.913 3.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.597 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.741 4.926 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.597 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.327 1 O4'-C1'-N19 111.461 4.576 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.64 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.7 3.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.64 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.072 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.568 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.111 4.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.568 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.383 1 O4'-C1'-N19 111.638 4.798 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.391 3.239 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.162 0 O4'-C1'-N19 110.395 3.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 0 O4'-C1'-N19 110.489 3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.603 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.612 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.45 1 O4'-C1'-N19 111.893 5.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.612 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.615 4.769 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.556 ' P ' HH22 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.639 3.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.529 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.436 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.569 ' N4 ' ' CE2' ' A' ' 38' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.417 3.271 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.541 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.836 1 O4'-C1'-N19 111.018 4.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.655 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.655 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.057 1 O4'-C1'-N19 111.59 4.737 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.592 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.45 4.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.581 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-N19 110.654 3.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.304 0.573 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' CG ' ' H ' ' A' ' 5' ' ' ARG . 3.0 tppt? -164.9 -127.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.857 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.47 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 13.6 mtm-85 -155.45 126.19 6.95 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.319 -0.863 . . . . 0.0 108.907 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -111.49 167.24 10.47 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.562 -0.711 . . . . 0.0 109.402 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 23.4 p-10 -82.94 -171.37 3.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.211 -0.931 . . . . 0.0 109.733 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.565 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 19.8 m120 -64.0 -10.12 19.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 109.861 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -104.25 -97.36 0.32 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.312 -0.868 . . . . 0.0 109.463 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.68 14.9 0.24 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 51.4 mtm180 -82.74 -176.25 6.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 0.0 108.849 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -117.9 118.65 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.394 -0.816 . . . . 0.0 109.973 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -88.77 142.51 27.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -89.13 161.57 16.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.028 -1.045 . . . . 0.0 109.017 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.454 ' C ' ' H ' ' A' ' 17' ' ' GLU . 25.9 m -47.75 161.23 0.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.995 -1.066 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' CG2' ' A' ' 15' ' ' THR . . . 77.4 -36.44 1.56 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 15' ' ' THR . 89.6 mt-10 -90.37 147.79 23.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.339 -1.095 . . . . 0.0 110.429 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.506 ' OG ' ' P ' ' B' ' 104' ' ' ' DT' . 23.1 t -166.71 -154.24 0.17 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.094 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.565 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 3.1 pt20 -144.36 134.32 23.95 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.947 -1.096 . . . . 0.0 110.263 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.558 ' NH2' ' N7 ' ' B' ' 106' ' ' ' DG' . 0.0 OUTLIER -83.69 154.81 23.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.235 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.2 mtpm? -43.67 -18.78 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.443 -0.786 . . . . 0.0 109.974 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' ARG . 87.9 m-20 -81.23 -2.48 48.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.849 . . . . 0.0 109.863 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.37 -21.52 12.97 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -67.9 159.51 30.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.097 -1.237 . . . . 0.0 109.029 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 58.6 m-85 -80.61 151.91 28.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.128 -0.983 . . . . 0.0 109.628 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 tt -139.21 112.09 7.9 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -102.96 103.02 13.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.814 0.816 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -94.58 135.55 35.91 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 14.1 p90 -155.55 113.12 3.33 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -0.966 . . . . 0.0 109.397 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.2 140.84 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.519 -0.738 . . . . 0.0 109.152 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 33' ' ' PHE . 14.8 p30 -84.31 169.0 15.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.513 -0.742 . . . . 0.0 109.972 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 m -62.09 2.23 0.25 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 0.0 109.677 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' H ' ' C ' ' A' ' 31' ' ' ASP . 41.9 m-85 -97.52 -31.69 12.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.68 11.65 22.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -100.66 107.82 50.63 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -44.98 122.53 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.061 1.841 . . . . 0.0 112.58 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -105.21 134.44 48.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.447 -0.783 . . . . 0.0 109.005 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.96 141.39 44.48 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-O 121.724 0.773 . . . . 0.0 111.234 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -137.85 119.26 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -102.1 160.38 14.56 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.074 -1.016 . . . . 0.0 110.997 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -176.35 165.16 2.71 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -114.12 -34.94 5.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.216 -0.927 . . . . 0.0 108.554 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 18.2 mtmt -94.04 130.47 40.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.544 -0.722 . . . . 0.0 109.744 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.38 -27.79 59.24 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -139.13 150.78 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.21 65.15 0.39 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.22 -0.925 . . . . 0.0 110.034 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -149.69 -35.0 0.17 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -66.48 -160.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -134.17 -170.23 2.48 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.157 -0.964 . . . . 0.0 109.39 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.94 135.8 8.34 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 121.33 -0.857 . . . . 0.0 109.141 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.486 ' CB ' ' HZ1' ' A' ' 54' ' ' LYS . 91.4 Cg_exo -40.73 130.88 2.73 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 121.699 1.6 . . . . 0.0 111.834 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.44 58.16 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.196 -0.94 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.72 89.65 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HZ1' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -92.36 168.71 11.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.006 -1.291 . . . . 0.0 109.931 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -79.0 143.63 35.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.641 -0.662 . . . . 0.0 109.31 -179.526 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.39 151.87 26.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 108.88 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -173.15 156.36 3.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.143 -0.973 . . . . 0.0 109.374 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.7 pt -73.83 145.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -49.28 146.86 3.45 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.178 -0.951 . . . . 0.0 109.483 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -32.46 19.04 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.591 -0.693 . . . . 0.0 109.445 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -56.6 -31.98 64.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.039 -1.038 . . . . 0.0 109.686 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -77.11 -46.12 24.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.997 -1.064 . . . . 0.0 108.654 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -59.02 -44.02 91.67 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.9 mt -63.71 -40.74 90.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.98 -30.11 45.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.474 -0.766 . . . . 0.0 110.175 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -74.16 -40.37 62.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.997 -1.064 . . . . 0.0 109.008 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.55 -26.93 66.55 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -84.56 32.31 0.51 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -154.86 -117.52 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.283 -0.886 . . . . 0.0 109.432 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -160.72 98.37 1.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.181 -0.95 . . . . 0.0 109.464 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.249 -0.907 . . . . 0.0 109.249 179.698 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.337 1 O4'-C1'-N19 112.217 5.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.708 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.126 0 O4'-C1'-N19 110.548 3.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.708 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.502 4.628 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.506 ' P ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C5'--C4' 1.535 2.97 0 O4'-C1'-N19 110.693 3.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.659 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.889 1 O4'-C1'-N19 111.173 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.659 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.743 4.929 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.589 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.17 4.212 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.622 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.721 3.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.622 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.486 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.77 3.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.438 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.094 1 O4'-C1'-N19 111.011 4.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.486 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.274 3.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.55 3.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.598 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.477 3.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.598 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.049 1 O4'-C1'-N19 111.884 5.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.133 4.167 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.567 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.502 3.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.567 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.125 4.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.528 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.528 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.629 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.895 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.694 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.686 3.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.694 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.101 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.615 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 111.139 4.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.75 3.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 161.59 22.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.333 -0.855 . . . . 0.0 109.311 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -82.61 171.0 14.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.455 -0.778 . . . . 0.0 109.235 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -134.79 162.03 33.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.366 -0.834 . . . . 0.0 109.425 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD2' ' CZ ' ' A' ' 11' ' ' ARG . 21.7 p-10 -83.18 -157.78 0.25 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.604 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 34.8 m120 -87.51 19.09 3.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.21 -0.932 . . . . 0.0 110.15 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -135.13 -87.71 0.36 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.606 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.17 12.65 0.1 OUTLIER Glycine 0 N--CA 1.489 2.199 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.114 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' CZ ' ' OD2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -82.09 -171.4 3.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.312 . . . . 0.0 108.527 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -129.75 109.22 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.487 -0.758 . . . . 0.0 109.894 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.0 mt -88.86 131.97 34.87 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.262 -0.899 . . . . 0.0 108.652 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 172.21 9.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.06 -1.025 . . . . 0.0 109.068 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 17' ' ' GLU . 85.6 m -47.86 157.44 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 109.639 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.09 -40.0 1.66 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 15' ' ' THR . 17.8 mp0 -88.51 132.03 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.121 -1.223 . . . . 0.0 109.521 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -156.98 -156.39 0.6 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.0 109.13 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.604 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 12.0 pt20 -153.71 146.64 24.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.462 HH21 ' CG ' ' A' ' 22' ' ' ASP . 13.1 ttp180 -76.97 -149.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.707 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -95.19 -27.34 15.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.763 . . . . 0.0 109.754 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' A' ' 20' ' ' ARG . 13.5 m-20 -83.81 15.88 3.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.226 -0.921 . . . . 0.0 109.608 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.05 4.91 86.72 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' CG ' ' CH2' ' A' ' 42' ' ' TRP . 93.7 mtt180 -68.76 126.28 29.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.419 -1.048 . . . . 0.0 109.796 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -74.54 135.94 42.15 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -140.9 152.08 44.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.028 . . . . 0.0 110.152 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -131.7 115.47 16.07 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -98.75 142.4 30.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.701 -0.624 . . . . 0.0 109.377 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 7.8 p90 -153.26 132.62 12.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.969 -1.082 . . . . 0.0 109.375 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mm -77.66 123.38 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.542 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 1.1 m-20 -77.62 -177.26 4.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.532 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -72.44 0.65 9.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 0.0 110.243 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -94.57 -26.91 16.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.282 -0.886 . . . . 0.0 109.239 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.05 17.48 22.65 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.83 111.47 41.1 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.719 -0.871 . . . . 0.0 109.566 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.74 146.72 2.13 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.932 1.755 . . . . 0.0 112.296 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.542 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 23.0 tt0 -129.48 132.16 46.86 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -97.27 150.48 20.89 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.112 -0.992 . . . . 0.0 111.732 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.37 101.72 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -96.54 169.86 9.61 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.087 -1.008 . . . . 0.0 111.83 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 1.1 p -173.85 -158.27 0.09 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' N ' ' OG ' ' A' ' 41' ' ' SER . 56.5 m95 -140.8 -32.68 0.56 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.928 -1.107 . . . . 0.0 108.894 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -98.77 130.96 45.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.368 -0.833 . . . . 0.0 110.366 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' C ' ' OG ' ' A' ' 59' ' ' SER . 59.2 tp -69.59 -39.78 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' N ' ' OG ' ' A' ' 59' ' ' SER . 2.4 m -135.56 157.17 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.88 66.83 0.1 Allowed 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 45' ' ' VAL . 42.5 m -150.59 -37.53 0.14 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.41 -160.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -140.7 -157.74 0.79 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.019 -1.051 . . . . 0.0 109.981 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 50' ' ' VAL . 23.7 m -154.09 123.86 3.27 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -39.8 128.98 1.98 Allowed 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.825 1.683 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 147.12 2.55 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.688 -0.632 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.33 -21.16 47.67 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -87.07 166.33 15.11 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -1.178 . . . . 0.0 109.795 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -78.79 147.36 33.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.388 -0.82 . . . . 0.0 109.491 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -83.75 159.7 21.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 109.804 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.37 162.42 2.89 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 pt -71.71 -165.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -95.6 140.79 29.93 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.5 tp -46.44 -22.1 0.23 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.421 -0.799 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' SER . 4.0 mmt-85 -72.29 -32.22 66.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.265 -0.897 . . . . 0.0 108.908 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' SER . 70.4 mt-10 -75.78 -38.86 57.88 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.213 -0.929 . . . . 0.0 108.648 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -63.97 -44.26 93.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.87 -42.87 83.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.98 60.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.575 -0.703 . . . . 0.0 110.258 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -71.9 -34.64 69.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 108.988 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -68.28 -35.82 78.44 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -82.14 -26.75 33.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.335 -0.853 . . . . 0.0 109.256 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -73.16 -97.85 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 0.0 109.608 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -156.6 80.01 0.95 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 109.385 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.134 -0.979 . . . . 0.0 109.359 -179.738 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.423 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.488 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.66 3.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.488 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.727 4.909 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O4'-C1'-N19 110.713 3.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.631 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.901 0 O4'-C1'-N19 110.761 3.702 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.631 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.727 4.909 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.502 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.105 1 O4'-C1'-N19 111.234 4.293 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.642 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.546 3.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.642 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.277 4.347 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.643 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.643 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.788 4.984 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.492 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.813 0 O4'-C1'-N19 110.589 3.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.374 3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.627 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.419 3.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.627 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.594 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.71 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.948 1 O4'-C1'-N19 111.804 5.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.71 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.448 1 O4'-C1'-N19 112.297 5.621 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.498 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.557 3.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.681 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.82 3.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.681 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.693 0 O4'-C1'-N19 110.806 3.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.463 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.536 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.553 4.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.604 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.576 0 O4'-C1'-N19 110.758 3.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.604 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.741 4.926 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.532 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.495 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.532 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 13.9 mp0 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -79.13 -99.48 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' NH2' ' O ' ' A' ' 17' ' ' GLU . 29.4 mtm-85 -157.33 176.79 12.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.371 -0.83 . . . . 0.0 109.336 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -134.67 153.65 51.89 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.41 -0.806 . . . . 0.0 109.145 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 25.7 p-10 -82.78 -162.18 0.56 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.799 . . . . 0.0 109.654 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -86.69 -6.36 58.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.282 -0.886 . . . . 0.0 109.647 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -107.64 -88.08 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.377 -0.827 . . . . 0.0 109.709 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.07 10.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 7' ' ' ASP . 28.6 mtm-85 -84.39 -174.58 5.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.015 -1.286 . . . . 0.0 108.789 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -122.26 120.33 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.315 -0.866 . . . . 0.0 109.902 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.8 mt -87.19 140.77 29.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' GLY . 27.7 mmtt -88.41 155.32 19.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.316 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.2 m -46.76 92.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.273 -0.892 . . . . 0.0 109.438 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 159.46 -50.29 0.39 Allowed Glycine 0 N--CA 1.486 1.987 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' C ' ' HG ' ' A' ' 18' ' ' SER . 11.3 mp0 -89.57 122.74 33.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -1.095 . . . . 0.0 109.888 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.513 ' HG ' ' C ' ' A' ' 17' ' ' GLU . 3.1 m -152.6 122.45 6.97 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -60.94 157.37 15.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.122 -0.986 . . . . 0.0 110.003 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.585 ' NH2' ' N7 ' ' B' ' 106' ' ' ' DG' . 7.2 ttt180 -108.24 -137.43 0.37 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.638 0.732 . . . . 0.0 110.348 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 4.2 mtpm? -89.14 -25.53 21.8 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.512 -0.743 . . . . 0.0 110.342 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . 52.0 m-20 -82.29 2.15 33.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.919 -1.113 . . . . 0.0 109.993 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -19.8 5.77 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.432 ' NE ' ' CB ' ' A' ' 22' ' ' ASP . 9.0 ptp180 -67.76 157.01 35.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.343 -1.093 . . . . 0.0 109.3 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HH ' ' NH2' ' A' ' 11' ' ' ARG . 85.8 m-85 -74.87 143.8 43.67 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.104 -0.998 . . . . 0.0 108.629 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.14 112.38 11.08 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.7 t80 -101.4 99.85 10.25 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.626 0.727 . . . . 0.0 109.3 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -97.15 134.35 40.59 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 30.4 p90 -154.25 138.93 16.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.819 -1.176 . . . . 0.0 110.221 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -74.81 127.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 33' ' ' PHE . 5.0 m-20 -79.51 168.87 18.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 109.548 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -62.8 5.52 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.331 -0.856 . . . . 0.0 110.269 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.523 ' H ' ' C ' ' A' ' 31' ' ' ASP . 24.9 m-85 -100.24 -30.63 11.79 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.076 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.44 29.75 4.95 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 3.6 pt-20 -130.76 113.9 16.53 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.645 -0.915 . . . . 0.0 108.715 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -42.24 154.41 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.97 1.78 . . . . 0.0 112.204 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -134.5 132.15 38.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.478 -0.764 . . . . 0.0 109.615 -179.169 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.529 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 7.5 m-85 -101.81 126.1 48.62 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.324 -0.86 . . . . 0.0 111.531 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.48 118.74 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -102.02 159.46 15.34 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.56 156.74 1.19 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -106.62 -37.09 6.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.345 -0.847 . . . . 0.0 109.407 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.61 132.48 39.28 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.2 -33.34 63.39 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -137.43 149.89 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.82 65.49 0.09 Allowed 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.136 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' VAL . 4.7 m -151.19 -33.83 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.92 -158.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.456 -0.777 . . . . 0.0 109.093 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -130.6 -163.76 1.35 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.175 -0.953 . . . . 0.0 109.246 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.2 m -157.51 118.07 2.0 Allowed Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.251 -0.905 . . . . 0.0 109.218 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.28 141.81 3.02 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.926 1.751 . . . . 0.0 112.691 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.36 157.22 3.84 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.594 -0.691 . . . . 0.0 109.665 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -14.97 57.22 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.9 mptt -88.23 153.18 21.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -1.174 . . . . 0.0 109.388 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -81.18 116.21 20.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.362 -0.836 . . . . 0.0 109.387 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -50.42 151.7 2.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.117 -0.989 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.97 160.72 6.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.326 -0.859 . . . . 0.0 108.878 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 pt -73.57 142.96 14.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.221 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 p -47.83 149.47 1.3 Allowed 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.355 -0.841 . . . . 0.0 109.595 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -47.77 -53.35 15.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.056 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -45.27 -31.62 1.63 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 0.0 110.187 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.61 -29.46 45.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.698 -1.251 . . . . 0.0 108.125 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' LEU . 71.7 mttt -72.17 -45.75 59.15 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 7.0 mt -62.05 -39.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.53 66.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.93 -34.04 68.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.051 -1.03 . . . . 0.0 109.557 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 71' ' ' ILE . 16.8 mt -65.22 -41.0 94.85 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -84.55 -7.62 59.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.454 -0.779 . . . . 0.0 109.626 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -74.53 -95.64 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.103 -0.998 . . . . 0.0 110.316 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.0 -26.13 25.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.123 -0.986 . . . . 0.0 110.352 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 67' ' ' LEU . 13.3 mm . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.945 -1.097 . . . . 0.0 109.415 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.411 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 110.716 3.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.411 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.831 1 O4'-C1'-N19 111.444 4.555 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.548 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.373 0 O4'-C1'-N19 110.461 3.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.627 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.627 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.515 4.644 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.142 1 O4'-C1'-N19 111.05 4.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.568 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.47 3.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.568 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 111.069 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.558 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.459 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.959 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . 0.428 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.406 3.258 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.272 3.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.609 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.595 3.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.703 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.246 1 O4'-C1'-N19 111.762 4.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.703 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.047 1 O4'-C1'-N19 112.235 5.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.604 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.394 3.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.604 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.574 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.6 0 O4'-C1'-N19 110.649 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.514 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.71 0 C3'-C2'-C1' 107.209 3.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.526 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.23 1 O4'-C1'-N19 111.365 4.456 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.623 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.688 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.623 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.575 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.575 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.331 0.586 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -86.61 110.55 19.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.162 -0.961 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.94 178.24 8.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.035 -1.041 . . . . 0.0 109.205 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' A' ' 6' ' ' ARG . 1.9 mtt-85 -135.1 177.28 7.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.373 -0.83 . . . . 0.0 109.48 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 22.7 p-10 -83.48 -176.75 6.46 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.192 -0.942 . . . . 0.0 109.189 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -65.36 -6.82 11.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.155 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.33 -96.62 0.3 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.493 -0.755 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.33 16.85 0.11 Allowed Glycine 0 N--CA 1.492 2.413 0 C-N-CA 119.569 -1.3 . . . . 0.0 109.909 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 71.4 mtm180 -84.01 -165.18 1.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.204 -1.174 . . . . 0.0 109.265 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mm -133.03 122.99 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.431 -0.793 . . . . 0.0 109.183 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mp -89.41 154.38 20.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 108.762 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -88.47 161.86 16.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.09 -1.006 . . . . 0.0 108.712 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 16' ' ' GLY . 30.0 m -46.79 162.19 0.05 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.056 -1.028 . . . . 0.0 109.49 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' N ' ' CG2' ' A' ' 15' ' ' THR . . . 80.28 -38.79 2.25 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' OE2' ' CD1' ' A' ' 27' ' ' TYR . 17.1 mp0 -94.1 145.86 24.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.295 -1.121 . . . . 0.0 110.275 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 4.0 m -179.74 137.95 0.13 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.68 143.73 47.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.076 -1.015 . . . . 0.0 109.563 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.485 ' NH1' ' H ' ' A' ' 22' ' ' ASP . 4.0 ptm180 -97.83 -151.31 0.37 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.346 -0.846 . . . . 0.0 110.063 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -78.32 -26.35 46.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.157 -0.965 . . . . 0.0 111.163 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 99.5 m-20 -80.89 2.48 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.823 -1.173 . . . . 0.0 110.286 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -24.64 3.55 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.539 HH22 ' P ' ' C' ' 118' ' ' ' DT' . 10.7 ptp180 -67.23 158.44 31.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.347 . . . . 0.0 109.187 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.65 151.34 39.32 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.284 -0.885 . . . . 0.0 109.335 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.18 127.42 21.15 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 28.5 t80 -121.67 105.23 10.23 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -88.36 139.88 30.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 4.1 p90 -151.0 136.49 17.82 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.946 -1.097 . . . . 0.0 109.58 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -80.44 125.01 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.718 -0.614 . . . . 0.0 109.504 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -79.93 -178.74 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -78.49 11.2 2.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 109.866 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -100.81 -29.41 12.27 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.42 33.44 3.91 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 3.2 pt-20 -140.88 117.16 7.57 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.453 -1.027 . . . . 0.0 108.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.07 157.59 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.845 1.696 . . . . 0.0 112.543 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -135.2 136.85 42.1 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.459 -0.776 . . . . 0.0 109.304 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -100.34 126.7 46.72 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.268 -0.895 . . . . 0.0 111.271 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.49 119.24 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.83 153.12 20.12 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.096 -1.003 . . . . 0.0 111.453 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -173.3 142.77 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -96.68 -26.24 15.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HZ3' ' H ' ' A' ' 47' ' ' THR . 10.1 mtpp -96.6 134.5 39.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.527 -0.733 . . . . 0.0 110.212 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.9 tp -79.94 -26.19 40.17 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.7 m -145.41 155.91 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.1 67.16 0.29 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.362 -0.837 . . . . 0.0 109.722 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.535 ' H ' ' HZ3' ' A' ' 43' ' ' LYS . 36.4 m -149.87 -40.46 0.14 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.51 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 1.7 m-20 -67.98 -169.57 0.14 Allowed 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.555 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -138.39 149.77 45.87 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.122 -0.986 . . . . 0.0 109.391 179.399 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.4 m -85.2 137.7 37.04 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.536 -0.728 . . . . 0.0 109.566 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.83 160.0 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.074 1.182 . . . . 0.0 111.034 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -57.43 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.395 -0.816 . . . . 0.0 111.709 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -2.07 0.05 OUTLIER Glycine 0 N--CA 1.494 2.512 0 O-C-N 121.276 -0.89 . . . . 0.0 111.742 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 52' ' ' ALA . 5.3 mptt -91.71 157.84 16.71 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.531 -1.57 . . . . 0.0 109.989 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -81.92 174.24 11.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 0.0 109.313 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -98.25 145.48 26.6 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.267 -0.896 . . . . 0.0 109.138 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' ILE . . . -166.18 63.4 0.1 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.22 -0.925 . . . . 0.0 110.032 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.498 ' C ' ' O ' ' A' ' 57' ' ' ALA . 6.1 pt 24.27 -140.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.327 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.442 ' OG ' ' OE2' ' A' ' 62' ' ' GLU . 1.1 p -124.47 147.45 48.32 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.21 -36.54 20.22 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.262 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -62.4 -27.49 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 0.0 109.469 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -77.27 -41.34 41.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.529 -1.357 . . . . 0.0 107.867 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -67.03 -58.13 5.52 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.5 mt -44.96 -46.28 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.99 63.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.787 . . . . 0.0 110.103 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.049 -1.032 . . . . 0.0 109.351 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.06 -38.65 79.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.45 -0.781 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -82.06 -20.67 37.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 109.583 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 63.0 tttm -72.59 -71.66 0.28 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 0.0 109.631 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 69' ' ' LYS . 62.7 m-20 -154.95 -74.65 0.11 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.251 -0.906 . . . . 0.0 109.385 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.345 -0.847 . . . . 0.0 109.035 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.729 1 O4'-C1'-N19 111.826 5.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.631 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.827 0 O4'-C1'-N19 110.509 3.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.631 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.718 1 O4'-C1'-N19 111.456 4.57 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.576 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.345 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.629 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.629 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.67 4.837 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.521 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.281 4.352 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.618 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.77 0 O4'-C1'-N19 110.619 3.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.618 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.943 1 O4'-C1'-N19 111.22 4.276 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.513 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.012 4.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.513 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.957 1 O4'-C1'-N19 111.162 4.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.442 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.586 0 C3'-C2'-C1' 107.087 3.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.476 3.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.541 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.704 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.228 1 O4'-C1'-N19 112.023 5.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.704 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.157 1 O4'-C1'-N19 112.378 5.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.615 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.615 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.632 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.515 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.849 0 O4'-C1'-N19 110.636 3.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.515 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.744 3.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.544 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.262 4.327 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.675 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.646 3.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.675 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.623 4.779 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.571 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.367 4.459 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.571 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.642 3.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 7.2 mp0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.24 -167.62 1.94 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.304 -0.872 . . . . 0.0 110.275 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -94.7 169.16 10.36 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.561 0.696 . . . . 0.0 110.307 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.39 150.45 45.31 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 18.1 p-10 -81.89 -172.46 3.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.941 . . . . 0.0 109.98 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.529 ' CG ' HE22 ' A' ' 19' ' ' GLN . 74.8 m-20 -91.82 4.88 51.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.372 -0.83 . . . . 0.0 110.152 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -103.12 -52.28 3.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.187 -0.945 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.25 -0.9 0.43 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -79.72 -160.4 0.26 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.109 -1.23 . . . . 0.0 108.391 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mm -131.86 120.71 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.226 -0.921 . . . . 0.0 109.842 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -89.11 141.32 28.61 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.195 -0.941 . . . . 0.0 108.555 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -91.01 -167.46 1.82 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.081 -1.012 . . . . 0.0 109.737 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 17' ' ' GLU . 53.4 m -72.09 169.27 16.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.175 -0.953 . . . . 0.0 108.556 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.09 -49.3 0.89 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -90.36 140.68 29.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.383 -1.069 . . . . 0.0 109.33 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.523 ' HG ' ' N ' ' A' ' 19' ' ' GLN . 98.0 p -156.32 -133.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.178 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.529 HE22 ' CG ' ' A' ' 8' ' ' ASN . 15.0 tt0 -159.75 142.19 13.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -0.919 . . . . 0.0 109.466 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -85.15 -153.49 0.17 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.272 -0.893 . . . . 0.0 110.075 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -95.41 -23.35 17.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.413 -0.804 . . . . 0.0 110.621 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 1.92 28.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.054 -1.029 . . . . 0.0 109.906 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.74 -16.77 58.51 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' CZ ' ' OP2' ' C' ' 119' ' ' ' DT' . 2.6 ptm180 -68.41 154.72 41.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.198 -1.177 . . . . 0.0 109.219 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -74.84 154.92 38.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.268 -0.895 . . . . 0.0 109.078 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -138.9 133.93 32.56 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.389 -0.819 . . . . 0.0 108.91 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -129.59 102.89 6.56 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -96.57 137.24 35.94 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 11.9 p90 -152.13 135.23 15.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.897 -1.127 . . . . 0.0 109.526 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.38 126.16 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.641 -0.662 . . . . 0.0 109.595 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.4 m-20 -80.18 177.91 8.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.214 -0.929 . . . . 0.0 109.489 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -75.24 11.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.813 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.6 m-85 -100.54 -30.38 11.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.0 34.03 3.86 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -140.09 115.46 7.84 Favored Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.598 -0.942 . . . . 0.0 108.913 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -42.77 159.84 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.874 1.716 . . . . 0.0 112.389 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.36 127.85 28.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.371 -0.83 . . . . 0.0 109.512 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.631 ' N ' ' NE2' ' A' ' 37' ' ' GLN . 9.3 m-85 -96.85 128.65 44.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.297 -0.877 . . . . 0.0 111.351 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.3 t -127.52 116.88 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -102.41 147.58 26.54 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.209 -0.932 . . . . 0.0 110.987 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.8 148.1 17.27 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -101.91 -38.08 7.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.131 -0.981 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -91.54 125.7 36.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.567 -0.708 . . . . 0.0 109.777 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.6 tp -73.54 -25.53 60.43 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 m -142.28 152.25 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 66.31 0.32 Allowed 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.735 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.7 m -151.82 -35.56 0.13 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.34 -166.67 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.654 -0.654 . . . . 0.0 109.561 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -131.93 -154.94 0.65 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -156.67 133.69 6.52 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.008 -1.057 . . . . 0.0 109.898 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -41.82 132.59 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.061 1.841 . . . . 0.0 112.494 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 147.38 6.77 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.381 -0.825 . . . . 0.0 109.29 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.03 51.72 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 54' ' ' LYS . 11.3 mptt -87.52 155.51 19.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -1.17 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -79.41 140.01 37.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.161 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -69.59 158.0 36.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.962 . . . . 0.0 109.384 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -169.07 157.35 7.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.0 108.931 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 pt -72.02 163.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -65.27 156.23 32.65 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 121.076 -1.015 . . . . 0.0 109.949 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.0 tp -52.6 -46.28 66.92 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -56.58 -29.19 61.78 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.181 -0.949 . . . . 0.0 110.015 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -74.45 -37.12 63.33 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -66.52 -64.17 0.91 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.9 mt -48.86 -39.53 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.344 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.21 -38.16 62.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.328 -0.858 . . . . 0.0 110.383 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -72.94 -36.1 67.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.823 -1.173 . . . . 0.0 108.845 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.98 -27.88 61.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.463 -0.773 . . . . 0.0 111.287 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -82.27 -32.57 29.52 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.628 -1.295 . . . . 0.0 110.638 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -74.62 -119.37 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.854 -1.154 . . . . 0.0 109.561 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -161.58 68.21 0.29 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.313 -0.867 . . . . 0.0 109.748 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.548 ' CD1' ' N ' ' A' ' 71' ' ' ILE . 1.6 mp . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.037 -1.039 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.496 1 O4'-C1'-N19 112.526 5.907 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.97 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.437 ' N2 ' ' O2 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.595 4.744 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.563 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.34 0 O4'-C1'-N19 110.727 3.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.617 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.942 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.617 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C1'-N19 111.609 4.762 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.488 H2'' " O5'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.669 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.578 3.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.669 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.164 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.543 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.076 4.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.447 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.291 1 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.569 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.402 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.6 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.542 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.587 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C1'-N19 110.88 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.587 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.833 5.041 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.517 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.538 4.672 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.43 ' OP2' ' H71' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.654 0 C3'-C2'-C1' 107.112 3.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.527 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.527 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.954 0 O4'-C1'-N19 110.567 3.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.505 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 0 O4'-C1'-N19 110.575 3.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.536 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.653 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.824 3.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.653 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 111.363 4.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.555 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.719 1 O4'-C1'-N19 111.393 4.491 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.722 3.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HE ' ' HA2' ' A' ' 10' ' ' GLY . 4.3 mmm-85 . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -81.76 -165.97 1.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.54 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -79.24 10.57 3.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 0.0 109.844 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -134.22 -93.9 0.3 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.89 . . . . 0.0 109.554 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA2' ' HE ' ' A' ' 6' ' ' ARG . . . -151.48 8.59 0.65 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.448 HH21 HD23 ' A' ' 44' ' ' LEU . 10.7 mtp180 -84.75 145.2 28.04 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -1.153 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mm -90.64 124.84 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 110.054 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.69 157.67 18.46 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -88.78 157.66 18.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.868 -1.145 . . . . 0.0 109.03 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 16' ' ' GLY . 88.6 m -47.3 168.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.989 -1.069 . . . . 0.0 109.486 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 15' ' ' THR . . . 74.69 -41.19 1.19 Allowed Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 15' ' ' THR . 45.8 mt-10 -92.1 164.12 13.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.273 -1.134 . . . . 0.0 110.223 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 19' ' ' GLN . 27.6 t -175.99 -147.03 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.533 ' N ' ' OG ' ' A' ' 18' ' ' SER . 11.4 pt20 -150.33 129.34 12.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.855 -1.153 . . . . 0.0 109.81 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.593 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.95 -153.31 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.413 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -94.7 -20.54 19.45 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.378 -0.826 . . . . 0.0 108.793 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.55 -2.85 56.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.506 -0.746 . . . . 0.0 109.641 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -14.06 66.04 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -67.45 164.27 19.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.963 -1.316 . . . . 0.0 109.175 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -87.11 149.03 24.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.094 -1.004 . . . . 0.0 110.222 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tp -137.73 142.52 40.99 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -130.96 97.89 4.44 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -92.17 137.13 32.62 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -156.45 138.22 14.26 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.734 -1.229 . . . . 0.0 110.622 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.16 112.6 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -81.15 -179.23 7.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.228 -0.92 . . . . 0.0 109.849 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -77.41 13.77 1.13 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.791 . . . . 0.0 109.885 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -96.36 -30.04 13.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.256 -0.903 . . . . 0.0 108.73 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 27.42 6.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -154.31 124.68 3.38 Favored Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.304 -1.115 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -39.8 155.91 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.105 1.87 . . . . 0.0 112.827 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -127.89 131.56 49.4 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.36 122.71 39.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.454 -0.779 . . . . 0.0 111.322 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.64 120.99 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -100.61 156.15 17.47 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.023 -1.048 . . . . 0.0 111.096 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.8 t -175.78 148.77 0.89 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -102.08 -30.37 11.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.198 -0.938 . . . . 0.0 108.715 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 9.6 mtmm -97.12 129.61 44.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.666 -0.646 . . . . 0.0 109.875 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD23 HH21 ' A' ' 11' ' ' ARG . 48.1 tp -71.49 -31.55 67.24 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.78 158.88 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.33 58.86 1.72 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.268 -0.895 . . . . 0.0 110.793 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.5 p -148.93 -28.14 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.32 -0.862 . . . . 0.0 108.731 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.43 -155.0 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.404 -0.81 . . . . 0.0 110.062 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -135.24 -162.47 1.26 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.265 -0.897 . . . . 0.0 109.078 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 50' ' ' VAL . 35.4 m -153.77 131.82 6.44 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 120.954 -1.091 . . . . 0.0 109.621 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -40.97 132.36 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.086 1.858 . . . . 0.0 112.587 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 141.88 23.98 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.384 -0.823 . . . . 0.0 109.594 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.44 -16.02 61.24 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -88.21 157.38 18.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -1.19 . . . . 0.0 109.44 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -78.94 162.24 26.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.372 -0.83 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.06 157.38 17.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -172.38 157.82 4.17 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 62' ' ' GLU . 7.3 pt -74.29 140.98 16.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.814 -1.179 . . . . 0.0 108.023 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.83 152.07 0.39 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.481 -0.762 . . . . 0.0 109.998 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -53.56 -39.6 64.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -55.29 -30.23 59.73 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.383 -0.823 . . . . 0.0 109.495 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HB3' HD12 ' A' ' 58' ' ' ILE . 42.5 mm-40 -79.13 -40.31 31.37 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 120.98 -1.075 . . . . 0.0 108.477 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.88 -51.99 62.02 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.513 ' CD1' HD22 ' A' ' 60' ' ' LEU . 10.4 mt -53.37 -47.78 57.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.27 -28.96 20.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.747 . . . . 0.0 110.045 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.2 -36.25 61.42 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.94 -1.1 . . . . 0.0 108.762 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.72 -35.8 72.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.614 -0.679 . . . . 0.0 110.1 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.069 -1.02 . . . . 0.0 109.643 -179.155 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.723 HH11 ' CB ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -81.18 -169.1 2.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -87.76 18.9 3.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.527 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.506 HH11 ' HG2' ' A' ' 9' ' ' ARG . 3.7 mmt-85 -135.05 -88.27 0.36 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.424 -0.797 . . . . 0.0 109.63 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.98 8.2 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -82.66 -165.68 1.11 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.1 -1.235 . . . . 0.0 108.365 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -135.31 123.73 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.03 -1.044 . . . . 0.0 109.456 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.05 140.51 29.37 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.309 -0.87 . . . . 0.0 108.766 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' CG ' ' H ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -88.73 -154.66 0.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.996 -1.065 . . . . 0.0 109.277 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.514 ' H ' ' CG ' ' A' ' 14' ' ' LYS . 55.2 m -86.17 157.36 20.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.913 . . . . 0.0 108.954 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 15' ' ' THR . . . 74.84 -29.27 1.08 Allowed Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' A' ' 15' ' ' THR . 50.5 mt-10 -89.89 132.15 35.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.384 -1.068 . . . . 0.0 109.961 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 5.1 m -167.69 163.5 14.35 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.534 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 6.5 mp0 -104.68 139.48 39.44 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.218 -0.926 . . . . 0.0 110.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -69.2 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -95.66 -19.5 19.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 0.0 109.121 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.15 -4.0 58.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -12.12 68.99 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -67.44 137.57 55.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -1.135 . . . . 0.0 108.952 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.69 146.82 41.99 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.072 -1.017 . . . . 0.0 109.161 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.81 142.14 29.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.149 -0.97 . . . . 0.0 109.038 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 49.8 t80 -110.54 104.44 13.16 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -97.78 132.39 43.44 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.485 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 27.4 p90 -155.9 127.46 7.28 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.055 -1.028 . . . . 0.0 109.475 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.61 135.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 33' ' ' PHE . 12.7 p30 -80.55 164.64 22.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.41 -0.806 . . . . 0.0 109.387 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 t -63.69 6.56 0.15 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.783 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' H ' ' C ' ' A' ' 31' ' ' ASP . 27.9 m-85 -98.55 -28.5 13.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 108.697 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.49 35.01 3.69 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -131.64 108.64 14.45 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.645 -0.914 . . . . 0.0 109.484 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -42.49 144.96 1.08 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.127 1.885 . . . . 0.0 112.201 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -131.71 113.45 13.58 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 110.025 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -93.12 141.85 27.95 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 122.07 0.938 . . . . 0.0 111.672 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -139.56 114.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.02 167.89 9.95 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-O 122.221 1.01 . . . . 0.0 112.16 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.5 170.85 1.02 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -114.81 -33.83 5.34 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.035 -1.041 . . . . 0.0 109.802 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.76 117.91 30.89 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.0 109.317 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.55 -28.54 69.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.861 -1.149 . . . . 0.0 108.086 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.7 m -138.43 144.8 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.76 66.77 0.06 Allowed 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.157 -0.964 . . . . 0.0 110.16 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.2 m -150.27 -34.13 0.17 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.28 -161.49 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.591 -0.693 . . . . 0.0 109.22 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -135.88 -160.52 1.06 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.211 -0.93 . . . . 0.0 109.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 50' ' ' VAL . 35.4 m -155.07 119.83 2.56 Favored Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -40.88 133.36 2.64 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.735 1.624 . . . . 0.0 112.381 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.33 156.62 0.57 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.537 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.96 -20.82 33.9 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -88.73 158.46 18.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.199 -1.177 . . . . 0.0 109.285 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 mmp_? -78.35 137.83 38.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.268 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.35 153.67 42.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.22 160.19 15.81 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.301 -0.874 . . . . 0.0 108.786 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.627 HD11 ' HG2' ' A' ' 63' ' ' LYS . 9.5 pt -70.78 -177.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' GLU . 7.6 t -86.68 146.91 26.11 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.947 -1.096 . . . . 0.0 109.512 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.45 -33.63 4.12 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.506 0.67 . . . . 0.0 109.29 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -64.63 -31.23 72.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.743 . . . . 0.0 109.45 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.615 ' HB3' HD12 ' A' ' 58' ' ' ILE . 45.5 mm-40 -76.03 -41.29 51.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.969 -1.082 . . . . 0.0 108.245 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.627 ' HG2' HD11 ' A' ' 58' ' ' ILE . 68.0 mttt -62.25 -51.44 67.71 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -49.72 -38.48 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.86 72.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.482 -0.761 . . . . 0.0 110.508 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.99 -32.59 67.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.062 -1.024 . . . . 0.0 109.328 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 67' ' ' LEU . 14.8 mt -67.32 -41.5 85.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 108.905 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.486 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -81.86 -177.31 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.009 . . . . 0.0 109.533 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.25 -1.33 5.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 109.817 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -106.86 -90.44 0.43 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -0.781 . . . . 0.0 109.142 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.7 16.91 0.09 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.418 ' NH1' HD23 ' A' ' 44' ' ' LEU . 54.7 mtm180 -84.88 -178.72 6.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -1.102 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -114.35 116.82 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mt -86.27 141.24 29.41 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.15 169.18 12.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.74 -1.225 . . . . 0.0 109.855 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -53.27 159.0 1.44 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.314 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.7 -38.67 1.93 Allowed Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 18' ' ' SER . 40.4 mt-10 -91.48 145.06 24.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.387 -1.067 . . . . 0.0 109.878 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 14.6 m -166.83 -152.88 0.14 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.416 -0.802 . . . . 0.0 108.951 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' NE2' ' N ' ' A' ' 19' ' ' GLN . 1.4 pm0 -146.87 171.57 15.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.047 -1.033 . . . . 0.0 109.898 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -118.94 -162.49 0.91 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.68 -0.637 . . . . 0.0 109.297 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -71.6 -26.92 62.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.848 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -82.12 1.33 36.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 -5.35 50.93 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.615 ' NH2' ' CE2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -68.69 148.12 50.86 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.101 -1.235 . . . . 0.0 108.815 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -76.82 153.23 35.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.779 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 tp -143.86 121.83 12.07 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 47.1 t80 -102.84 104.01 14.24 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -100.3 133.99 43.91 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 33.1 p90 -156.94 135.27 11.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 0.0 110.113 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -72.44 118.99 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.522 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.7 m-20 -81.49 170.5 15.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.139 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.9 m -69.45 14.06 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.537 -0.727 . . . . 0.0 109.732 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.492 ' H ' ' C ' ' A' ' 31' ' ' ASP . 25.6 m-85 -96.95 -28.68 14.08 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.78 31.39 5.75 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -151.81 120.81 3.4 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -1.121 . . . . 0.0 109.267 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.41 151.83 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.05 1.833 . . . . 0.0 112.719 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -128.94 137.28 51.31 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -109.98 130.99 55.45 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.463 -0.773 . . . . 0.0 110.987 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.27 112.38 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.88 164.54 11.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.223 -0.923 . . . . 0.0 111.02 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -176.53 -172.49 0.46 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CE2' ' NH2' ' A' ' 24' ' ' ARG . 74.7 m95 -133.21 -42.95 0.87 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.232 -0.917 . . . . 0.0 109.555 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 11.7 mtpp -90.61 124.78 35.32 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.29 -0.881 . . . . 0.0 109.756 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.418 HD23 ' NH1' ' A' ' 11' ' ' ARG . 57.1 tp -65.75 -37.79 87.31 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -136.03 157.47 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 65.39 0.23 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.156 -0.965 . . . . 0.0 109.774 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' VAL . 12.1 m -151.72 -31.48 0.16 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 8.0 m-20 -69.59 -158.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 108.824 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.532 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.3 OUTLIER -134.63 -163.91 1.44 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.105 -0.997 . . . . 0.0 109.225 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 50' ' ' VAL . 27.6 m -155.83 117.38 2.28 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.44 138.24 7.65 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.764 1.642 . . . . 0.0 112.436 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.93 156.71 1.94 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.699 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.3 52.86 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.7 mptt -87.83 157.31 19.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -1.15 . . . . 0.0 109.353 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -78.52 113.76 16.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.84 . . . . 0.0 109.335 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -50.37 155.65 0.99 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.205 -0.934 . . . . 0.0 109.374 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.25 168.11 3.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.117 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.565 HD11 ' HG2' ' A' ' 63' ' ' LYS . 8.3 pt -71.14 -153.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' GLU . 5.5 p -105.07 143.4 33.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.1 tp -46.93 -33.42 4.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -67.73 -29.79 69.12 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.511 -0.743 . . . . 0.0 109.247 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' SER . 29.5 mt-10 -77.36 -37.87 51.36 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HG2' HD11 ' A' ' 58' ' ' ILE . 63.5 mttt -65.09 -52.5 55.18 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.72 -40.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.26 64.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.618 -0.676 . . . . 0.0 110.288 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.93 -31.81 64.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.883 -1.136 . . . . 0.0 109.391 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.26 -28.53 67.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 109.323 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 0.0 109.06 179.767 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 121.296 0.569 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 20.2 p-10 -84.3 -172.49 4.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.416 -0.802 . . . . 0.0 109.722 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -90.1 4.07 51.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.381 -0.825 . . . . 0.0 109.682 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -104.47 -61.9 1.39 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.0 -2.78 0.07 OUTLIER Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.709 -1.234 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -161.39 0.35 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.912 -1.346 . . . . 0.0 108.594 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -130.43 122.04 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.252 -0.905 . . . . 0.0 109.437 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.88 135.81 33.54 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' GLY . 8.4 tptt -87.96 169.69 11.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 109.817 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.2 m -53.49 88.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.295 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 161.62 -54.57 0.32 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -87.78 142.27 27.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.125 -1.22 . . . . 0.0 110.028 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -145.57 -136.76 0.09 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.399 -0.813 . . . . 0.0 109.445 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -160.07 150.48 18.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.146 -0.971 . . . . 0.0 109.691 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.518 HH11 ' CD2' ' A' ' 26' ' ' LEU . 5.7 tpt180 -108.01 -162.25 0.82 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.475 -0.765 . . . . 0.0 109.844 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -23.95 58.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.922 . . . . 0.0 109.094 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.03 0.58 35.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.041 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.64 -14.82 22.55 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -67.57 162.94 22.33 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.1 -1.235 . . . . 0.0 109.2 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -80.41 156.58 26.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 109.937 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' CD2' HH11 ' A' ' 20' ' ' ARG . 6.6 tp -136.69 116.91 13.49 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.622 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 31.5 t80 -109.29 98.07 7.56 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -96.52 134.09 40.16 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.622 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 34.9 p90 -156.42 147.51 22.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.044 -1.035 . . . . 0.0 110.132 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mm -78.53 130.57 36.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 33' ' ' PHE . 35.8 p30 -80.51 163.68 23.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.029 . . . . 0.0 109.82 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -64.38 5.57 0.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 109.906 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.5 m-85 -99.29 -29.35 12.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.25 -0.906 . . . . 0.0 108.632 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' OE2' ' A' ' 35' ' ' GLU . . . 106.54 33.61 3.31 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 34' ' ' GLY . 58.0 mm-40 -138.92 119.68 9.8 Favored Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.488 -1.007 . . . . 0.0 109.292 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.08 154.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.86 1.707 . . . . 0.0 112.382 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -137.9 117.7 13.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.36 -0.838 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -91.36 133.44 35.44 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.3 -0.875 . . . . 0.0 110.539 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.14 119.21 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.17 161.45 14.25 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.234 -0.916 . . . . 0.0 111.353 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.04 164.47 6.19 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -109.49 -35.43 6.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.185 -0.947 . . . . 0.0 109.184 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.0 mtmm -97.53 130.09 44.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.532 -0.73 . . . . 0.0 109.897 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.37 -35.26 77.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.38 155.97 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.05 67.51 0.65 Allowed 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.934 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -149.36 -37.83 0.16 Allowed 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.32 -162.25 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -132.06 -160.44 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.9 m -155.78 135.64 8.3 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.289 -0.882 . . . . 0.0 109.028 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 77.4 Cg_exo -42.56 144.13 1.37 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.822 1.681 . . . . 0.0 112.458 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.6 139.09 57.95 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.24 -0.913 . . . . 0.0 109.68 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.05 3.07 68.19 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 51' ' ' PRO . 2.2 mmpm? -88.29 157.89 18.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.037 -1.272 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -80.17 109.4 14.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.135 -0.978 . . . . 0.0 108.643 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -46.55 149.39 0.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -168.01 154.4 7.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 62' ' ' GLU . 7.3 pt -74.14 144.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 120.771 -1.205 . . . . 0.0 108.499 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 p -46.7 148.18 1.08 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -49.05 -49.15 42.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.1 -1.0 . . . . 0.0 108.901 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -49.18 -30.92 7.53 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.492 -0.755 . . . . 0.0 109.87 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB3' HD12 ' A' ' 58' ' ' ILE . 37.1 mm-40 -78.61 -31.78 47.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.708 -1.245 . . . . 0.0 107.985 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.0 mttm -68.54 -57.0 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mt -47.12 -43.12 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.06 66.04 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.37 -0.831 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -74.71 -34.58 62.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 0.0 109.665 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.21 -31.3 70.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.355 -0.841 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.852 . . . . 0.0 109.176 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 6' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -82.81 -154.69 0.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.438 -0.789 . . . . 0.0 109.707 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -89.81 -12.93 37.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.268 -0.895 . . . . 0.0 109.837 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -103.78 -98.8 0.31 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.338 -0.851 . . . . 0.0 109.661 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.72 11.81 0.62 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 69.6 mtm180 -82.37 -164.4 0.83 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -1.136 . . . . 0.0 108.825 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -134.3 126.72 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.132 -0.98 . . . . 0.0 109.197 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.9 mt -89.31 133.06 34.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 109.174 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.33 157.95 17.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.125 -0.984 . . . . 0.0 109.471 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.0 m -48.25 111.87 0.51 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.95 -51.23 0.77 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -89.24 158.15 17.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.319 -1.106 . . . . 0.0 109.726 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -160.45 -148.88 0.17 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.318 -0.864 . . . . 0.0 109.655 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.562 HE22 ' C ' ' A' ' 24' ' ' ARG . 6.9 tp-100 -154.27 127.69 8.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.319 -0.863 . . . . 0.0 108.87 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.605 ' NH1' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -82.79 -154.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.217 -0.927 . . . . 0.0 109.616 -179.345 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.605 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -95.63 -19.43 19.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.308 -0.87 . . . . 0.0 109.691 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.37 3.38 21.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.288 -0.882 . . . . 0.0 110.222 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 86.81 -25.3 7.62 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' C ' HE22 ' A' ' 19' ' ' GLN . 10.1 ptp180 -69.4 156.59 38.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.348 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 69.8 m-85 -74.25 155.65 38.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.068 -1.02 . . . . 0.0 109.413 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 tp -132.97 116.78 16.84 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -117.68 108.45 15.43 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.634 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 ttmp? -101.84 143.66 31.47 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -156.17 135.28 12.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.012 . . . . 0.0 109.933 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.9 mm -70.95 119.71 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.253 -0.904 . . . . 0.0 108.998 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -83.2 173.2 11.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.251 -0.905 . . . . 0.0 110.067 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.9 m -77.95 15.57 0.86 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.415 -0.803 . . . . 0.0 109.548 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -95.44 -31.17 13.5 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.43 29.07 4.07 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -159.01 129.14 3.42 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.085 -1.244 . . . . 0.0 109.815 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -38.89 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.339 2.026 . . . . 0.0 112.997 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -136.18 122.28 20.27 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.541 -0.724 . . . . 0.0 109.055 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 8.2 m-85 -87.0 139.81 30.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.322 -0.861 . . . . 0.0 111.172 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 t -135.33 112.83 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -100.77 150.42 22.81 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -164.13 153.73 14.21 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -103.72 -29.08 11.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.332 -0.855 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -99.16 120.84 40.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.452 -0.78 . . . . 0.0 109.838 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HB3' HH12 ' A' ' 11' ' ' ARG . 31.5 tp -75.13 -16.26 60.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.58 154.61 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.92 56.39 0.97 Allowed 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.121 -0.987 . . . . 0.0 110.748 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 p -148.59 -26.05 0.32 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.304 -0.873 . . . . 0.0 109.173 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -67.95 -161.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.228 -0.92 . . . . 0.0 109.983 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -129.62 -157.6 0.83 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.382 -0.823 . . . . 0.0 109.031 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 50' ' ' VAL . 30.1 m -153.15 129.06 5.2 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.006 -1.059 . . . . 0.0 109.336 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -41.11 132.06 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.979 1.786 . . . . 0.0 112.503 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.84 137.08 26.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.323 -0.861 . . . . 0.0 109.585 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.84 51.2 Favored Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -87.23 155.76 19.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 109.418 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -80.42 140.89 35.77 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 156.58 39.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.239 -0.913 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.74 158.76 15.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.266 -0.896 . . . . 0.0 108.981 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 62' ' ' GLU . 11.8 pt -72.17 159.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -60.4 159.22 10.53 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.068 -1.053 . . . . 0.0 108.717 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -60.98 -31.56 71.14 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -57.51 -34.27 68.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 58' ' ' ILE . 71.3 mm-40 -76.37 -48.92 18.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 108.402 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -55.73 -40.02 71.9 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.491 ' CD1' HD22 ' A' ' 60' ' ' LEU . 5.6 mt -68.09 -31.02 50.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.89 84.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.842 . . . . 0.0 111.089 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.62 -28.29 60.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.79 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.92 -40.17 94.65 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.78 -1.2 . . . . 0.0 108.24 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 C--N 1.304 -1.38 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.674 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.727 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.302 0.572 . . . . 0.0 109.572 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -83.59 -168.27 2.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.326 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.38 26.08 1.3 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.401 -0.812 . . . . 0.0 109.26 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -134.59 -96.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.459 -0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.71 1.28 0.1 OUTLIER Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 -172.45 4.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.013 -1.286 . . . . 0.0 108.258 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mm -125.86 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.419 -0.801 . . . . 0.0 109.093 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -86.08 133.67 33.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.223 -0.923 . . . . 0.0 108.819 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HZ3' ' HA ' ' A' ' 14' ' ' LYS . 2.0 tptp -89.05 170.86 10.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.18 -0.95 . . . . 0.0 109.428 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.9 m -49.98 149.13 2.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.78 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.79 -33.15 3.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -90.73 146.37 24.04 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.119 -1.224 . . . . 0.0 109.981 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p -173.62 155.75 2.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.416 -0.803 . . . . 0.0 109.104 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -98.08 141.25 31.25 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.08 -1.012 . . . . 0.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 20' ' ' ARG . 12.4 ttt-85 -86.42 164.96 16.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.479 -0.763 . . . . 0.0 109.988 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 13.2 mtpt -54.51 -20.64 8.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.491 -0.756 . . . . 0.0 109.884 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -81.56 -0.52 42.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 0.0 110.117 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.83 -23.79 9.97 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -67.06 158.07 31.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -1.223 . . . . 0.0 109.154 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -77.33 153.76 33.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.376 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 tt -142.56 136.37 29.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 109.461 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.8 113.03 14.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.503 -0.748 . . . . 0.0 109.149 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -100.36 139.37 36.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -156.09 138.17 14.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.896 -1.127 . . . . 0.0 109.958 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.14 124.99 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.558 -0.714 . . . . 0.0 109.598 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -82.45 -169.83 2.64 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 109.595 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -80.14 9.67 5.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.0 109.839 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -99.12 -30.91 12.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 108.708 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.52 11.15 31.76 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -118.88 118.01 33.4 Favored Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.612 -0.934 . . . . 0.0 108.954 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.8 150.01 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.865 1.71 . . . . 0.0 112.641 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -129.34 118.0 21.54 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -84.74 148.88 26.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.341 -0.849 . . . . 0.0 111.24 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.85 130.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.18 150.54 27.1 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.185 -0.947 . . . . 0.0 111.452 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.21 148.05 3.89 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -104.21 -32.62 9.04 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.068 -1.02 . . . . 0.0 109.182 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.53 119.88 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.291 -0.88 . . . . 0.0 109.974 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -69.6 -23.69 63.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.027 -1.046 . . . . 0.0 108.479 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.0 m -143.77 152.13 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.43 65.23 0.43 Allowed 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.119 -0.988 . . . . 0.0 109.814 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 5.4 m -151.47 -33.37 0.15 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.01 -162.84 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.474 -0.767 . . . . 0.0 109.54 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -136.34 -164.14 1.52 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.304 -0.873 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.568 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.8 m -156.18 119.47 2.32 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.412 -0.805 . . . . 0.0 109.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.47 142.84 1.71 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 121.712 1.608 . . . . 0.0 112.43 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.46 162.88 0.7 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.89 -16.39 32.42 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -86.82 158.62 19.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -1.181 . . . . 0.0 109.44 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' A' ' 55' ' ' ARG . 19.1 mmt-85 -79.13 115.47 18.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 0.0 108.941 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -48.16 144.36 3.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.22 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.82 160.33 28.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.172 -0.955 . . . . 0.0 109.695 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.569 HD12 ' CB ' ' A' ' 62' ' ' GLU . 7.4 pt -72.34 -151.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.3 p -105.22 149.14 26.22 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 64' ' ' ILE . 23.0 tp -48.28 -38.94 20.05 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.507 -0.746 . . . . 0.0 109.432 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -62.88 -32.71 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.82 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.569 ' CB ' HD12 ' A' ' 58' ' ' ILE . 8.5 mm-40 -74.31 -35.31 63.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.596 -1.315 . . . . 0.0 107.848 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HG2' HD11 ' A' ' 58' ' ' ILE . 62.2 mttt -68.94 -60.75 2.15 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.469 HD12 ' HG ' ' A' ' 60' ' ' LEU . 4.5 mt -45.24 -42.24 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.87 69.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.578 -0.701 . . . . 0.0 110.471 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -72.35 -32.06 66.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.028 -1.045 . . . . 0.0 109.513 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.17 -35.69 78.44 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.416 -0.803 . . . . 0.0 109.045 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.384 -0.822 . . . . 0.0 109.26 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 121.314 0.578 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -82.53 -165.94 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.345 -0.847 . . . . 0.0 109.457 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -77.54 -5.47 50.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.137 -0.977 . . . . 0.0 110.072 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -104.34 -101.02 0.31 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 109.387 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.12 11.97 0.19 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -84.4 -170.44 3.1 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.309 -1.112 . . . . 0.0 108.933 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -126.46 100.68 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.428 -0.795 . . . . 0.0 109.935 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.622 ' H ' ' CD2' ' A' ' 13' ' ' LEU . 1.4 pt? -85.35 162.97 18.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -89.0 163.18 15.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.688 -1.257 . . . . 0.0 110.556 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.5 m -48.87 -52.79 22.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.547 -0.72 . . . . 0.0 109.776 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.37 -34.19 3.36 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.8 159.69 19.03 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.442 -1.034 . . . . 0.0 109.729 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -167.49 179.48 4.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.332 -0.855 . . . . 0.0 109.668 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -134.98 143.5 46.87 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 15.6 ptm180 -109.03 -166.85 1.15 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.416 -0.803 . . . . 0.0 110.738 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.6 mtpm? -64.53 -23.12 67.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.533 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' ARG . 30.3 m-20 -81.09 -0.91 42.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 109.551 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 -13.29 3.63 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 22' ' ' ASP . 4.4 ptm180 -70.51 147.3 49.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.327 -1.102 . . . . 0.0 109.951 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -81.09 147.52 30.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.436 -0.79 . . . . 0.0 108.996 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 pp -146.4 135.08 22.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -0.856 . . . . 0.0 108.894 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.626 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 37.5 t80 -102.13 103.97 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -102.19 133.98 46.18 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 29.5 p90 -154.93 152.66 29.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 110.524 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mm -80.78 108.05 13.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -81.46 167.82 18.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.166 -0.959 . . . . 0.0 109.788 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.05 20.97 0.08 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 0.0 109.878 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 31' ' ' ASP . 35.3 m-85 -95.36 -39.85 9.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 108.937 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' OE2' ' A' ' 35' ' ' GLU . . . 125.82 15.31 2.93 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE2' ' N ' ' A' ' 34' ' ' GLY . 2.0 pm0 -160.61 137.74 6.74 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 120.821 -1.399 . . . . 0.0 110.132 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.79 165.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.415 2.077 . . . . 0.0 113.005 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -138.58 125.14 20.69 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -93.92 134.78 35.94 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.934 0.873 . . . . 0.0 112.27 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.7 t -135.41 109.96 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -99.24 169.07 9.63 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.002 -1.061 . . . . 0.0 112.141 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.33 -151.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -149.65 -32.94 0.2 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.847 -1.158 . . . . 0.0 108.441 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 13.2 mtpp -99.53 127.82 45.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.532 -0.73 . . . . 0.0 110.072 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.3 -32.33 66.48 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -139.86 156.78 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' OG ' ' A' ' 59' ' ' SER . . . -70.17 67.74 0.31 Allowed 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.89 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' VAL . 17.6 m -152.12 -35.3 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 10.2 m-20 -67.44 -160.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.655 . . . . 0.0 109.474 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -135.05 -155.72 0.67 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.207 -0.933 . . . . 0.0 109.4 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 50' ' ' VAL . 14.1 m -152.8 122.52 3.35 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.195 -0.941 . . . . 0.0 108.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -44.81 135.52 10.04 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.565 1.51 . . . . 0.0 112.161 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.54 144.5 10.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.416 -0.802 . . . . 0.0 109.67 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.89 -18.2 57.93 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 1.3 mptm? -87.21 161.16 18.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -1.168 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -80.04 134.11 36.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.322 -0.861 . . . . 0.0 109.381 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -63.47 149.91 44.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.12 -0.987 . . . . 0.0 109.259 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.39 164.62 19.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.103 -0.998 . . . . 0.0 109.641 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 62' ' ' GLU . 4.0 pt -72.23 -144.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -111.81 144.78 40.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.459 -0.775 . . . . 0.0 108.987 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 tp -52.26 -12.4 0.25 Allowed 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 59' ' ' SER . 9.2 mmt180 -80.93 -36.28 31.26 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -74.67 -42.93 57.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.197 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -57.3 -43.09 82.9 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.06 -50.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -26.13 38.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.492 -0.755 . . . . 0.0 110.442 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -73.22 -32.22 64.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.081 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.6 -46.87 71.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.129 -0.982 . . . . 0.0 108.821 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.782 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 10' ' ' GLY . 12.3 mtm180 . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 5.5 p-10 -84.19 -147.09 0.09 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 110.573 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.574 ' OD1' ' NE2' ' A' ' 19' ' ' GLN . 88.9 m-20 -89.98 -12.9 37.32 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.71 -0.619 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.607 ' H ' ' CG ' ' A' ' 7' ' ' ASP . 21.6 mmt180 -104.92 -96.99 0.33 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.395 -0.815 . . . . 0.0 109.553 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.525 ' O ' ' NH1' ' A' ' 6' ' ' ARG . . . -157.4 13.49 0.29 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HE ' HD23 ' A' ' 44' ' ' LEU . 1.3 ptm180 -84.34 168.67 15.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.154 -1.203 . . . . 0.0 109.278 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mm -102.68 124.86 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.19 -0.944 . . . . 0.0 109.887 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 mt -88.64 140.13 29.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 108.42 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -88.93 156.36 18.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.122 -0.987 . . . . 0.0 109.067 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -51.92 123.77 11.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.133 -0.979 . . . . 0.0 109.068 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.81 -27.63 10.2 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -91.01 158.0 16.94 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.354 -1.086 . . . . 0.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p -176.9 -164.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.574 ' NE2' ' OD1' ' A' ' 8' ' ' ASN . 17.2 pt20 -142.69 128.02 18.82 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.222 -0.923 . . . . 0.0 109.371 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HE ' ' H ' ' A' ' 21' ' ' LYS . 12.0 ttp180 -69.45 -149.5 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 109.443 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' H ' ' HE ' ' A' ' 20' ' ' ARG . 2.8 mtpm? -91.31 -22.02 20.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.318 -0.864 . . . . 0.0 109.825 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.49 -1.24 45.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.215 -0.928 . . . . 0.0 109.943 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.33 -14.64 57.25 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -67.79 143.16 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -1.19 . . . . 0.0 109.251 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -75.22 153.02 38.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.152 -0.967 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.679 HD12 ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -145.9 135.45 23.17 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.099 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.84 110.38 18.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.534 -0.729 . . . . 0.0 109.26 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -93.42 140.25 29.78 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -154.39 137.73 15.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 109.513 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -77.36 125.47 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.0 109.262 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -81.79 -166.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.918 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 p -79.72 -0.96 36.39 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.393 -0.817 . . . . 0.0 110.029 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -93.54 -30.15 15.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.263 -0.898 . . . . 0.0 109.117 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.71 35.14 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -109.29 115.23 56.76 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.648 -0.913 . . . . 0.0 109.551 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -43.49 135.41 6.61 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.944 1.762 . . . . 0.0 112.366 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -116.55 133.42 56.03 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.578 -0.701 . . . . 0.0 109.118 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.28 147.89 23.31 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 122.035 0.921 . . . . 0.0 111.03 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.95 110.81 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.76 160.63 14.14 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.022 -1.049 . . . . 0.0 111.537 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.8 p -174.54 159.7 2.99 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -101.0 -36.35 9.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.073 -1.017 . . . . 0.0 109.769 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -92.1 145.6 24.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.078 -1.013 . . . . 0.0 110.419 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.581 HD23 ' HE ' ' A' ' 11' ' ' ARG . 28.3 tp -86.07 -25.27 25.95 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.6 m -145.8 150.13 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.67 66.71 0.74 Allowed 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.835 -1.165 . . . . 0.0 110.211 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.9 m -149.54 -32.46 0.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -65.79 -148.76 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -140.58 -163.05 1.45 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.016 -1.053 . . . . 0.0 109.542 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.6 m -156.15 123.08 2.67 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.424 -0.798 . . . . 0.0 109.141 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.86 137.34 4.35 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.806 1.67 . . . . 0.0 112.321 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.38 8.14 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.329 -0.857 . . . . 0.0 109.53 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.91 -16.95 57.24 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 4.0 mptt -87.25 151.56 23.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -1.126 . . . . 0.0 108.995 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.42 126.23 30.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.139 -0.976 . . . . 0.0 108.451 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -56.56 145.1 29.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.383 -0.823 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.93 158.52 40.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 62' ' ' GLU . 8.8 pt -73.57 168.85 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.22 155.07 41.01 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.974 -1.079 . . . . 0.0 108.441 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.45 -37.05 67.23 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.409 -0.917 . . . . 0.0 108.76 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -56.8 -31.08 64.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -179.396 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.596 ' HB3' HD12 ' A' ' 58' ' ' ILE . 43.8 mt-10 -74.77 -42.84 57.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.52 -1.363 . . . . 0.0 108.106 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ILE . 47.1 mttm -63.15 -63.52 1.17 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 60' ' ' LEU . 15.0 mt -38.61 -45.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 CA-C-O 121.314 0.578 . . . . 0.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.06 71.83 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.46 -28.56 61.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.806 -1.183 . . . . 0.0 109.564 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -35.68 80.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 109.06 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 64' ' ' ILE . 12.1 mp0 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 5.0 tpp180 . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -82.11 -157.82 0.22 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -0.921 . . . . 0.0 109.536 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -90.94 -8.73 48.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -105.23 -95.31 0.34 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.81 12.53 0.38 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' ' CD ' ' A' ' 6' ' ' ARG . 66.5 mtm180 -83.88 -162.86 0.69 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -1.127 . . . . 0.0 109.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -134.9 123.23 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.271 -0.893 . . . . 0.0 109.266 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD11 HE22 ' A' ' 19' ' ' GLN . 79.0 mt -88.61 148.99 23.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -0.929 . . . . 0.0 108.846 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.75 169.54 11.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.09 -1.006 . . . . 0.0 109.181 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.413 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 6.8 m -62.31 105.63 0.64 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.86 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.78 -39.06 1.61 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' A' ' 17' ' ' GLU . 1.8 mp0 -89.36 144.28 26.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.238 -1.154 . . . . 0.0 110.254 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -160.33 -167.74 1.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.591 HE22 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -143.05 149.53 38.35 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.071 -1.018 . . . . 0.0 109.658 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -93.1 -151.15 0.29 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.881 . . . . 0.0 109.439 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -80.79 -21.38 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.301 -0.874 . . . . 0.0 109.669 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -80.59 -1.44 42.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.65 -15.56 13.69 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 120.069 -1.062 . . . . 0.0 110.484 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.53 160.79 26.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.863 -1.375 . . . . 0.0 108.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -82.99 153.32 25.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -0.905 . . . . 0.0 110.544 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -140.96 115.43 9.45 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CE2' ' CD2' ' A' ' 29' ' ' TYR . 31.3 t80 -104.0 101.73 11.5 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -95.46 133.4 39.47 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 20.7 p90 -155.48 137.68 14.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.898 -1.126 . . . . 0.0 109.963 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.9 mm -79.34 121.13 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.524 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -79.58 179.41 7.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.0 109.848 -179.365 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -68.56 8.63 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 31' ' ' ASP . 15.6 m-85 -99.87 -27.86 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.24 -0.32 54.16 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.28 116.05 61.98 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.467 -1.02 . . . . 0.0 109.408 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -43.1 157.98 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.764 1.643 . . . . 0.0 112.42 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -135.33 136.9 41.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.513 -0.742 . . . . 0.0 109.008 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -107.27 133.87 51.19 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.373 -0.829 . . . . 0.0 111.245 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.87 120.61 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -100.99 163.46 12.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.167 -0.958 . . . . 0.0 110.857 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.94 138.34 0.12 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -88.22 -36.57 16.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.022 -1.049 . . . . 0.0 108.369 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -92.89 135.44 34.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.709 -0.62 . . . . 0.0 109.72 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.408 HD23 ' NH1' ' A' ' 11' ' ' ARG . 45.9 tp -85.0 -25.19 27.87 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.082 -1.011 . . . . 0.0 108.598 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 47' ' ' THR . 2.0 m -142.11 148.91 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.59 63.06 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.228 -0.92 . . . . 0.0 110.684 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 ' CG2' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.78 -31.5 0.16 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.386 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.99 -162.41 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.752 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -139.08 -160.1 1.03 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.279 -0.888 . . . . 0.0 109.224 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 50' ' ' VAL . 35.3 m -154.08 131.13 5.93 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -38.15 131.42 0.93 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.904 1.736 . . . . 0.0 112.284 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.29 145.83 4.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.614 -0.679 . . . . 0.0 109.765 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 -23.5 33.69 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.54 157.08 19.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.058 -1.26 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -78.28 137.46 38.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.349 -0.844 . . . . 0.0 109.732 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.45 160.93 29.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.239 -0.913 . . . . 0.0 109.11 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 155.69 16.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 108.983 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.689 HD12 ' HB3' ' A' ' 62' ' ' GLU . 12.8 pt -70.93 141.98 16.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -51.61 153.0 2.49 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.53 -179.176 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 64' ' ' ILE . 3.0 tt -49.36 -42.52 42.25 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.929 -0.482 . . . . 0.0 110.022 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -52.0 -30.19 24.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 110.482 -179.147 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.689 ' HB3' HD12 ' A' ' 58' ' ' ILE . 12.6 mm-40 -75.29 -38.11 60.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.548 -1.345 . . . . 0.0 108.565 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HG2' HD11 ' A' ' 58' ' ' ILE . 76.7 mttt -69.96 -41.84 73.97 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 60' ' ' LEU . 1.3 mt -63.15 -45.39 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.9 -27.43 42.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.48 -0.763 . . . . 0.0 110.106 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -73.1 -34.82 66.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.93 -1.107 . . . . 0.0 108.495 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.98 -42.56 76.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.207 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 121.281 0.562 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 9' ' ' ARG . 42.5 p-10 -82.99 -166.37 1.32 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 109.709 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.463 ' HB3' HE22 ' A' ' 19' ' ' GLN . 43.5 p-10 -73.54 17.1 0.16 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 109.673 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 7' ' ' ASP . 3.6 mmp_? -133.99 -101.62 0.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.345 -0.847 . . . . 0.0 109.305 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.26 11.45 0.89 Allowed Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' CB ' ' A' ' 44' ' ' LEU . 5.7 mtp180 -83.6 161.98 20.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -1.064 . . . . 0.0 109.14 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.66 120.16 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.303 -0.873 . . . . 0.0 110.238 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.22 142.1 28.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.291 -0.88 . . . . 0.0 108.67 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -89.44 151.77 21.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.471 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -48.61 104.79 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.132 -0.98 . . . . 0.0 109.457 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.99 -44.9 0.83 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -90.91 152.43 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.428 -1.043 . . . . 0.0 109.436 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -160.73 -164.83 1.27 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.889 . . . . 0.0 109.532 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.463 HE22 ' HB3' ' A' ' 8' ' ' ASN . 23.6 tt0 -147.44 126.35 12.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.274 -0.891 . . . . 0.0 109.442 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.04 -163.71 0.52 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.305 -0.872 . . . . 0.0 109.98 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -78.74 -18.11 54.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.545 -0.722 . . . . 0.0 109.792 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 9.6 m-20 -80.35 -6.65 58.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.15 -0.969 . . . . 0.0 109.919 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.44 -23.2 23.27 Favored Glycine 0 N--CA 1.496 2.653 0 C-N-CA 120.139 -1.029 . . . . 0.0 110.799 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NH1' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -67.93 153.7 43.17 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.753 -1.439 . . . . 0.0 108.879 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -79.47 159.02 27.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.306 -0.871 . . . . 0.0 109.495 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -142.47 118.28 10.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.441 -0.787 . . . . 0.0 109.033 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 48.2 t80 -104.51 103.92 13.69 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -99.41 134.13 42.72 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 43.3 p90 -156.83 148.09 22.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.98 -1.075 . . . . 0.0 110.341 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.65 116.37 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 33' ' ' PHE . 10.1 p30 -79.86 173.81 12.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.199 -0.938 . . . . 0.0 109.644 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.1 m -68.63 13.62 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.307 -0.871 . . . . 0.0 110.114 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.7 m-85 -98.87 -31.68 11.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 0.0 108.813 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.05 26.62 6.94 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -143.56 118.79 6.28 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.502 -0.999 . . . . 0.0 108.684 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -42.35 154.61 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.81 1.673 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.1 tt0 -130.49 135.0 47.52 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -100.88 134.84 43.26 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.69 0.757 . . . . 0.0 111.247 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.4 t -136.98 115.84 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -102.2 160.71 14.29 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.202 -0.936 . . . . 0.0 111.45 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -170.38 160.8 7.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 77.7 m95 -106.52 -29.63 9.55 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.116 -0.99 . . . . 0.0 108.746 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -101.34 138.46 38.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.52 -0.737 . . . . 0.0 110.04 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CB ' ' NH2' ' A' ' 11' ' ' ARG . 34.0 tp -84.7 -23.72 29.25 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -145.03 157.33 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 61.35 0.92 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.055 -1.028 . . . . 0.0 111.003 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 p -147.04 -33.39 0.29 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -67.79 -169.12 0.11 Allowed 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.447 -0.783 . . . . 0.0 108.933 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.3 -160.63 1.08 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.197 -0.939 . . . . 0.0 109.303 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 50' ' ' VAL . 23.9 m -153.5 134.54 8.35 Favored Pre-proline 0 N--CA 1.496 1.825 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -37.51 148.9 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.843 1.696 . . . . 0.0 112.926 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.1 127.1 29.72 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.949 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.14 -5.02 41.56 Favored Glycine 0 N--CA 1.501 3.027 0 O-C-N 121.216 -0.928 . . . . 0.0 110.788 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.617 ' NZ ' ' CE2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -85.92 164.06 17.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.852 -1.381 . . . . 0.0 108.874 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -79.12 112.78 16.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.003 -1.06 . . . . 0.0 108.388 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.52 159.13 6.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 0.0 110.296 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.72 164.27 8.05 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.575 HD12 ' CB ' ' A' ' 62' ' ' GLU . 8.7 pt -70.63 -163.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 p -96.77 156.02 16.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.04 -39.94 60.35 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -60.12 -31.3 69.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.87 . . . . 0.0 110.322 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.575 ' CB ' HD12 ' A' ' 58' ' ' ILE . 30.1 mt-10 -75.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.478 -1.389 . . . . 0.0 108.318 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HG2' HD11 ' A' ' 58' ' ' ILE . 63.8 mttt -66.23 -52.52 46.94 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mt -52.04 -40.38 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.61 -35.29 63.25 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.64 -34.48 67.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.015 -1.053 . . . . 0.0 109.25 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 18.5 mt -69.95 -21.75 63.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.51 -0.744 . . . . 0.0 109.159 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.433 -0.792 . . . . 0.0 109.116 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HG2' HD13 ' A' ' 12' ' ' ILE . 12.0 mtt180 . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 25.6 p-10 -82.72 -155.5 0.16 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.116 -0.99 . . . . 0.0 109.655 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -77.69 -6.3 53.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.378 -0.826 . . . . 0.0 109.495 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.572 HH11 ' CG ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -107.29 -110.87 0.3 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.404 -0.81 . . . . 0.0 109.09 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.12 7.55 1.19 Allowed Glycine 0 N--CA 1.497 2.726 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.593 ' NH2' HD23 ' A' ' 44' ' ' LEU . 11.7 ptm180 -86.42 151.07 23.84 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.638 -0.919 . . . . 0.0 109.604 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 ' HG2' ' A' ' 6' ' ' ARG . 5.5 mm -87.32 135.62 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.268 -0.895 . . . . 0.0 110.767 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.96 166.26 13.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -90.08 149.53 22.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.969 -1.082 . . . . 0.0 108.795 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -45.33 150.7 0.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.044 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.01 -36.22 3.42 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -88.22 156.45 19.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.251 -1.147 . . . . 0.0 110.239 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 p -173.01 -164.14 0.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -141.13 138.32 33.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.114 -0.991 . . . . 0.0 108.928 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 13.8 ttp180 -77.99 -151.08 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.949 . . . . 0.0 109.787 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -89.72 -20.66 23.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.444 -0.785 . . . . 0.0 109.834 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 20' ' ' ARG . 4.4 m-20 -80.55 3.54 21.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 110.173 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.42 -16.5 18.01 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -68.46 156.22 38.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -1.196 . . . . 0.0 109.14 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -77.23 152.75 34.57 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 tp -141.58 130.73 23.39 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.4 t80 -131.99 95.14 3.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.576 -0.702 . . . . 0.0 109.124 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -101.48 140.2 36.1 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 55.6 p90 -153.45 152.38 30.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.852 -1.155 . . . . 0.0 110.315 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mm -77.76 119.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 10.2 p-10 -80.25 38.06 0.4 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.201 -0.937 . . . . 0.0 110.24 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 57.3 3.69 0.17 Allowed 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.728 -0.608 . . . . 0.0 110.502 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.438 ' H ' ' C ' ' A' ' 31' ' ' ASP . 14.8 m-85 -97.1 -29.82 13.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.111 -0.993 . . . . 0.0 108.725 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.86 32.8 1.98 Allowed Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -157.55 109.76 1.83 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.392 -1.064 . . . . 0.0 108.812 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -42.73 158.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.091 1.861 . . . . 0.0 113.005 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -130.15 98.54 4.77 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -72.17 142.86 49.07 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.989 0.9 . . . . 0.0 112.026 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.19 119.71 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -103.16 142.27 34.43 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.052 -1.03 . . . . 0.0 111.308 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -163.39 162.11 24.73 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -109.5 -35.57 6.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.108 -0.995 . . . . 0.0 108.666 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.7 mtmt -96.37 127.92 42.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 110.105 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.593 HD23 ' NH2' ' A' ' 11' ' ' ARG . 43.7 tp -74.99 -17.23 60.56 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -145.1 153.03 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' ' 59' ' ' SER . . . -76.32 63.56 1.96 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.182 -0.949 . . . . 0.0 109.492 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -150.3 -34.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -163.28 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.429 -0.794 . . . . 0.0 109.3 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -128.72 -161.12 1.08 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.363 -0.836 . . . . 0.0 109.483 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 50' ' ' VAL . 29.7 m -156.86 121.75 2.38 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.449 -0.782 . . . . 0.0 109.222 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -43.53 143.47 2.55 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.842 1.694 . . . . 0.0 112.507 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.18 154.79 7.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.472 -0.767 . . . . 0.0 109.682 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.06 -15.29 56.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.2 mptt -87.47 153.08 21.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.115 -1.226 . . . . 0.0 109.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -80.7 146.54 31.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 108.735 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -75.69 158.9 31.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.17 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -175.27 153.93 1.64 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 62' ' ' GLU . 5.7 pt -72.37 153.82 7.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 O-C-N 120.808 -1.183 . . . . 0.0 108.064 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.431 ' HB3' ' N ' ' A' ' 46' ' ' ALA . 8.7 p -48.15 170.16 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.186 -0.946 . . . . 0.0 110.096 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.569 ' HG ' HD12 ' A' ' 64' ' ' ILE . 18.9 tp -68.6 -42.94 77.44 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.33 -0.856 . . . . 0.0 109.704 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 58' ' ' ILE . 10.2 mm-40 -76.7 -41.91 43.52 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 120.644 -1.285 . . . . 0.0 107.814 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -66.33 -62.33 1.53 Allowed 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.569 HD12 ' HG ' ' A' ' 60' ' ' LEU . 2.4 mt -42.49 -42.73 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.18 -40.19 67.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.21 -0.931 . . . . 0.0 110.321 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -73.95 -35.63 64.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.941 -1.1 . . . . 0.0 109.512 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.4 -30.0 69.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.487 1.425 0 O-C-N 121.197 -0.94 . . . . 0.0 108.532 179.36 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 121.314 0.578 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 15.1 p-10 -81.76 176.45 9.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.315 -0.866 . . . . 0.0 109.396 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.484 ' ND2' ' OE1' ' A' ' 19' ' ' GLN . 58.7 m-20 -73.65 33.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.208 -0.932 . . . . 0.0 109.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 7' ' ' ASP . 6.6 mmt180 -135.3 -56.92 0.8 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.397 -0.814 . . . . 0.0 109.291 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.51 -0.15 0.18 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -81.47 -164.84 0.83 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.288 . . . . 0.0 109.391 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mm -126.06 121.75 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.447 -0.783 . . . . 0.0 109.742 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 mt -90.39 139.52 30.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.16 -0.963 . . . . 0.0 108.867 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' THR . 11.8 mmtp -89.06 164.86 14.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.107 -0.996 . . . . 0.0 108.935 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 17' ' ' GLU . 2.7 t -48.83 172.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.983 -1.073 . . . . 0.0 108.87 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.76 -42.2 0.34 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 15' ' ' THR . 52.3 mt-10 -91.18 148.65 22.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -1.148 . . . . 0.0 109.778 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -165.36 -138.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.847 . . . . 0.0 109.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.484 ' OE1' ' ND2' ' A' ' 8' ' ' ASN . 3.4 tt0 -157.76 132.54 8.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.0 109.695 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.541 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 7.2 ttp180 -75.6 -152.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.828 0.823 . . . . 0.0 110.453 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.6 mtpm? -95.56 -25.06 16.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.772 -0.58 . . . . 0.0 109.916 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.541 ' OD2' ' NH2' ' A' ' 20' ' ' ARG . 70.8 m-20 -82.6 10.98 6.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.197 -0.939 . . . . 0.0 109.904 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 82.27 -18.06 15.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -67.36 155.67 38.36 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.96 -1.318 . . . . 0.0 109.018 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -73.99 145.14 44.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.034 -1.041 . . . . 0.0 109.77 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -124.9 124.97 43.2 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 38.9 t80 -115.39 97.04 5.94 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -95.01 127.86 41.4 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 21.4 p90 -155.86 153.0 29.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 110.205 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mm -91.94 123.27 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.527 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -79.39 169.78 17.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.032 -1.043 . . . . 0.0 109.976 -179.348 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -65.57 8.37 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.539 -0.726 . . . . 0.0 110.159 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.6 m-85 -98.08 -29.2 13.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.105 -0.997 . . . . 0.0 108.804 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 28.43 6.75 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -137.0 114.39 9.95 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -43.62 137.37 6.09 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.731 1.621 . . . . 0.0 112.267 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.527 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 7.5 tt0 -121.8 134.37 54.91 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.576 -0.703 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.84 135.55 43.2 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.567 0.698 . . . . 0.0 110.903 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.58 112.07 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -101.43 153.44 19.68 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.197 -0.94 . . . . 0.0 111.362 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.34 169.27 14.24 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -113.87 -36.83 4.69 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.191 -0.943 . . . . 0.0 109.72 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -91.63 120.08 32.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.31 -33.38 75.83 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -137.84 157.14 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 66.14 0.35 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.771 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 9.2 m -152.43 -30.95 0.15 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -163.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.471 -0.768 . . . . 0.0 109.559 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -130.77 -172.07 2.72 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.483 -0.76 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 50' ' ' VAL . 28.3 m -156.61 134.18 6.88 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.289 -0.882 . . . . 0.0 109.563 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -40.01 133.73 1.88 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.827 1.684 . . . . 0.0 112.025 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -32.13 64.78 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.205 -0.935 . . . . 0.0 110.652 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.9 -7.73 86.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 54' ' ' LYS . 3.9 mptt -92.09 162.44 14.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.076 -1.25 . . . . 0.0 109.282 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -79.29 117.07 19.94 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.435 -0.79 . . . . 0.0 109.86 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -54.9 151.16 9.01 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.247 -0.908 . . . . 0.0 108.949 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.05 167.4 18.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.144 -0.973 . . . . 0.0 109.358 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.59 HD11 ' HG2' ' A' ' 63' ' ' LYS . 10.0 pt -70.87 -162.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.8 p -100.25 145.13 28.46 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 27' ' ' TYR . 17.3 tp -45.89 -38.15 7.11 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -59.3 -30.86 68.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' CB ' HD12 ' A' ' 58' ' ' ILE . 61.1 mm-40 -77.36 -40.72 42.93 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.131 . . . . 0.0 108.556 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HG2' HD11 ' A' ' 58' ' ' ILE . 75.6 mttt -64.78 -40.62 95.55 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mt -61.21 -45.71 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.52 -26.81 55.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 110.282 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.97 -36.96 67.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.972 -1.08 . . . . 0.0 109.287 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.31 -27.19 65.16 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.433 -0.792 . . . . 0.0 109.371 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.456 -0.778 . . . . 0.0 110.325 -179.268 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.695 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 24.1 p-10 -82.41 -171.28 3.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.299 -0.875 . . . . 0.0 109.323 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -85.73 15.38 4.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.556 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.03 -88.04 0.55 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.527 -0.733 . . . . 0.0 109.45 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.18 -2.26 0.06 OUTLIER Glycine 0 N--CA 1.493 2.456 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -170.26 2.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.82 -1.4 . . . . 0.0 108.275 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mm -129.62 130.1 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.324 -0.86 . . . . 0.0 109.362 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.41 141.27 28.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 109.303 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -89.21 175.61 7.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.139 -0.976 . . . . 0.0 108.685 179.774 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -67.54 57.28 0.06 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.071 -1.018 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -169.26 -34.86 0.02 OUTLIER Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 18' ' ' SER . 49.3 mt-10 -90.73 150.86 21.46 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.379 -1.071 . . . . 0.0 110.102 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 6.0 m -166.99 -154.76 0.17 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.1 pm0 -155.31 155.58 33.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.982 -1.074 . . . . 0.0 110.081 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HE ' ' HA ' ' A' ' 20' ' ' ARG . 2.5 mmp_? -90.87 -162.87 0.95 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.423 -0.798 . . . . 0.0 109.699 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -76.11 -21.12 57.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.571 -0.706 . . . . 0.0 109.764 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.03 -1.46 44.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.256 -0.903 . . . . 0.0 109.915 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.11 -9.98 64.79 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.41 157.12 34.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -1.199 . . . . 0.0 108.544 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -79.88 153.28 29.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.055 -1.028 . . . . 0.0 109.928 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -141.87 115.45 9.05 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -107.94 106.56 16.87 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -96.91 139.49 32.86 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -154.14 129.8 10.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.95 -1.094 . . . . 0.0 109.76 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.81 117.58 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.527 -0.733 . . . . 0.0 109.114 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 33' ' ' PHE . 8.2 p30 -80.14 171.39 15.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 t -66.7 11.11 0.1 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.419 -0.8 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 31' ' ' ASP . 32.3 m-85 -98.7 -29.51 12.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.768 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.35 30.39 5.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.82 116.97 5.36 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.415 -1.05 . . . . 0.0 109.127 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -42.33 137.81 3.46 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.87 1.713 . . . . 0.0 112.515 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -113.71 142.63 45.79 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.54 -0.725 . . . . 0.0 109.147 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -101.22 134.22 44.6 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.283 -0.886 . . . . 0.0 111.267 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -133.12 118.79 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -102.57 162.47 12.9 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.088 -1.007 . . . . 0.0 111.94 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -177.54 154.06 0.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -106.99 -30.18 8.99 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.17 -0.956 . . . . 0.0 108.661 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -96.24 118.7 33.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.478 -0.764 . . . . 0.0 110.022 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.61 -22.74 66.7 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.13 158.41 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.207 -0.933 . . . . 0.0 108.762 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.6 60.56 2.17 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.383 -0.823 . . . . 0.0 111.01 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -144.99 -38.95 0.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -163.48 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -141.07 162.49 35.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.045 -1.035 . . . . 0.0 109.169 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.8 m -83.66 130.3 56.31 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.662 -0.649 . . . . 0.0 109.441 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.26 138.39 1.26 Allowed 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.813 1.675 . . . . 0.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.98 137.46 21.17 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.247 -0.908 . . . . 0.0 109.503 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.25 -22.08 42.72 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.5 mptt -88.45 161.65 16.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.253 -1.145 . . . . 0.0 109.151 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.527 HH11 ' HG2' ' A' ' 55' ' ' ARG . 2.9 mtt-85 -80.85 177.34 9.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.799 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.55 158.73 18.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.883 . . . . 0.0 109.772 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.24 145.41 0.77 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 109.187 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.675 HD12 ' HB3' ' A' ' 62' ' ' GLU . 11.8 pt -72.77 152.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -52.12 156.75 1.52 Allowed 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.179 -0.951 . . . . 0.0 108.876 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -59.85 -36.96 77.94 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.181 -0.949 . . . . 0.0 108.584 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -55.59 -28.73 56.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.326 -0.859 . . . . 0.0 110.033 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.675 ' HB3' HD12 ' A' ' 58' ' ' ILE . 36.3 mt-10 -76.21 -44.66 36.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.556 -1.34 . . . . 0.0 108.128 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 58' ' ' ILE . 70.7 mttt -61.6 -59.02 5.84 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' ' 60' ' ' LEU . 11.5 mt -42.92 -44.45 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.414 0.626 . . . . 0.0 109.674 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.13 65.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.246 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -74.0 -38.41 64.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.85 -21.2 63.38 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.543 -0.723 . . . . 0.0 109.725 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.889 . . . . 0.0 110.467 -179.091 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 48.7 p-10 -81.7 -162.86 0.57 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.097 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -87.76 -10.29 51.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.617 -0.677 . . . . 0.0 109.53 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -102.07 -91.01 0.34 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.275 -0.891 . . . . 0.0 109.38 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.9 11.96 0.07 OUTLIER Glycine 0 N--CA 1.491 2.333 0 C-N-CA 118.871 -1.633 . . . . 0.0 111.199 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 10.1 ptp180 -83.8 -163.71 0.81 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.602 -1.528 . . . . 0.0 108.436 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mm -137.45 120.03 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.161 -0.962 . . . . 0.0 108.616 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.817 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.6 mp -87.46 163.83 16.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.032 -1.043 . . . . 0.0 108.678 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -90.96 162.01 14.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.111 -0.993 . . . . 0.0 108.793 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 16' ' ' GLY . 24.1 m -47.95 161.5 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.994 -1.066 . . . . 0.0 109.236 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' HG22 ' A' ' 15' ' ' THR . . . 87.65 -49.06 3.81 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' OE1' ' CD1' ' A' ' 27' ' ' TYR . 2.7 mm-40 -88.47 154.15 20.59 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.169 -1.195 . . . . 0.0 110.008 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 p 179.53 148.44 0.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.569 -0.707 . . . . 0.0 109.108 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -82.79 150.71 26.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.693 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.49 HH21 ' CG ' ' A' ' 22' ' ' ASP . 21.5 ttp180 -95.92 -141.35 0.27 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.27 -0.894 . . . . 0.0 109.58 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -94.03 -27.03 16.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.441 -0.787 . . . . 0.0 109.971 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.49 ' CG ' HH21 ' A' ' 20' ' ' ARG . 3.2 m-20 -83.49 10.47 8.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.166 -0.959 . . . . 0.0 109.946 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.53 -8.04 22.03 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -69.23 147.2 51.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -1.063 . . . . 0.0 109.687 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -76.47 132.61 39.71 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 177.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tt -123.9 139.58 53.82 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.45 -0.782 . . . . 0.0 109.548 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD1' ' OE1' ' A' ' 17' ' ' GLU . 22.9 t80 -134.45 103.7 5.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -92.79 138.09 31.8 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.442 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 30.8 p90 -156.37 127.44 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.877 -1.14 . . . . 0.0 110.171 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.31 119.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 33' ' ' PHE . 9.9 p30 -79.15 169.19 18.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.976 . . . . 0.0 109.917 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.28 8.1 0.17 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.873 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.505 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.9 m-85 -97.99 -28.87 13.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.5 31.92 5.35 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -139.85 114.79 7.9 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.997 . . . . 0.0 109.517 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.44 132.08 9.5 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.756 1.637 . . . . 0.0 112.119 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -114.91 146.79 40.77 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.595 -0.691 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -110.25 142.12 42.28 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.456 -0.778 . . . . 0.0 110.465 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 113.89 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -102.79 144.95 30.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.865 . . . . 0.0 110.775 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.45 154.19 9.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -97.02 -39.52 9.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.98 -1.075 . . . . 0.0 109.028 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -93.42 132.93 37.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.76 -0.588 . . . . 0.0 110.377 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 tp -77.87 -30.53 50.88 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.8 m -138.59 151.88 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.62 69.08 0.1 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.095 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 45' ' ' VAL . 29.2 m -148.59 -43.59 0.15 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -167.55 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -137.67 156.5 47.96 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.919 -1.113 . . . . 0.0 109.707 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 50' ' ' VAL . 15.8 m -84.31 135.34 41.61 Favored Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.527 -0.733 . . . . 0.0 109.428 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -43.2 132.99 6.44 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.68 1.587 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.71 134.34 41.88 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.322 -0.861 . . . . 0.0 109.846 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.48 -16.96 56.12 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 110.019 -1.233 . . . . 0.0 110.019 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.4 mptt -88.79 171.25 10.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.139 -1.212 . . . . 0.0 109.683 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -77.79 166.51 22.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -85.47 149.17 25.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.38 -0.825 . . . . 0.0 109.426 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -167.21 153.48 8.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.858 . . . . 0.0 109.246 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.514 HD11 ' HG2' ' A' ' 63' ' ' LYS . 5.4 pt -71.21 -157.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -101.67 146.81 27.22 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.38 -47.84 18.71 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -54.13 -31.22 51.64 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.815 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HB3' HD12 ' A' ' 58' ' ' ILE . 14.9 mm-40 -77.32 -38.28 50.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.854 -1.154 . . . . 0.0 108.356 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HG2' HD11 ' A' ' 58' ' ' ILE . 77.7 mttt -64.21 -41.3 97.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.94 -41.03 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.08 62.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.525 -0.734 . . . . 0.0 109.94 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.35 -38.72 68.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.065 -1.022 . . . . 0.0 108.704 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.77 -24.42 64.42 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.655 HH11 ' CB ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 121.373 0.606 . . . . 0.0 109.846 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -84.0 -161.75 0.57 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.328 -0.858 . . . . 0.0 109.506 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -82.8 16.67 2.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 109.505 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -136.41 -104.22 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.386 -0.821 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.17 3.66 1.49 Allowed Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -83.72 150.01 26.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -1.11 . . . . 0.0 109.131 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -96.89 126.64 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.206 -0.934 . . . . 0.0 110.259 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.3 mt -92.15 147.21 23.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.284 -0.885 . . . . 0.0 108.935 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -90.01 156.29 18.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.04 -1.037 . . . . 0.0 108.868 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 m -47.64 147.78 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.002 -1.061 . . . . 0.0 109.364 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.08 -43.17 1.88 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 2.7 mp0 -91.56 155.59 18.26 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.253 -1.145 . . . . 0.0 109.934 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -168.41 -162.8 0.42 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.147 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -140.11 143.19 36.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.204 -0.935 . . . . 0.0 109.369 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.546 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.1 OUTLIER -85.43 -144.24 0.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.38 -0.825 . . . . 0.0 110.311 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -95.41 -23.15 17.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.724 -0.61 . . . . 0.0 109.68 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.92 0.32 44.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.909 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.53 -17.95 41.05 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -67.55 155.29 39.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.278 . . . . 0.0 109.081 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.19 147.91 36.19 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.221 -0.924 . . . . 0.0 109.821 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.57 115.71 12.47 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -105.56 107.91 19.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -100.99 138.39 38.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 34.5 p90 -155.0 142.15 19.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.907 -1.121 . . . . 0.0 109.984 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.0 mm -77.83 122.1 31.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.6 m-20 -77.56 171.39 14.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.942 . . . . 0.0 109.499 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.6 m -68.16 10.74 0.2 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -0.801 . . . . 0.0 109.817 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASP . 42.3 m-85 -100.05 -32.36 10.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.245 -0.91 . . . . 0.0 108.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 32.13 3.8 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.64 116.22 6.92 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.358 -1.083 . . . . 0.0 109.07 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -43.08 154.16 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.813 1.675 . . . . 0.0 112.159 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.7 tt0 -134.96 140.39 45.67 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.471 -0.768 . . . . 0.0 109.33 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -102.06 134.3 45.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.4 -0.812 . . . . 0.0 111.416 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.19 118.42 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 176.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -100.83 157.38 16.76 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.995 -1.066 . . . . 0.0 111.479 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 t -176.27 165.7 2.79 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -115.43 -32.39 5.61 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.227 -0.92 . . . . 0.0 108.959 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 58' ' ' ILE . 11.4 mtmm -95.26 131.11 41.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.522 -0.736 . . . . 0.0 110.266 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.08 -32.48 65.03 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.558 ' N ' ' OG ' ' A' ' 59' ' ' SER . 3.0 m -137.62 158.36 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.96 65.82 1.12 Allowed 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 m -150.02 -36.21 0.16 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.45 -161.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 49' ' ' ARG . 2.0 mmt-85 -136.03 -160.02 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 109.188 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 50' ' ' VAL . 28.8 m -156.91 118.03 2.11 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.43 144.1 5.06 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.86 1.707 . . . . 0.0 112.639 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.21 158.48 1.56 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.528 -0.733 . . . . 0.0 109.682 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -18.95 40.2 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.0 mptt -87.96 150.0 23.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.297 -1.119 . . . . 0.0 109.021 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -80.06 121.27 25.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.177 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -51.34 154.88 1.58 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.24 -0.912 . . . . 0.0 109.846 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -174.89 160.79 2.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.382 -0.824 . . . . 0.0 108.97 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.585 HD12 ' CB ' ' A' ' 62' ' ' GLU . 10.8 pt -72.43 -176.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.558 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -85.5 144.97 27.63 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.997 -1.065 . . . . 0.0 108.439 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD22 HD11 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -48.02 -35.47 11.1 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 0.0 108.781 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -56.36 -28.82 60.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.521 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.585 ' CB ' HD12 ' A' ' 58' ' ' ILE . 45.3 mm-40 -77.69 -48.51 16.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.888 -1.133 . . . . 0.0 108.712 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HG2' HD11 ' A' ' 58' ' ' ILE . 46.1 mttp -58.53 -45.28 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.515 HD11 HD22 ' A' ' 60' ' ' LEU . 9.9 mt -56.63 -43.33 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.61 -31.36 46.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.454 -0.779 . . . . 0.0 110.097 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -74.2 -38.32 63.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.041 -1.037 . . . . 0.0 109.276 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.89 -23.07 63.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.592 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 109.968 -179.386 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 23.4 p-10 -82.94 -171.37 3.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.211 -0.931 . . . . 0.0 109.733 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.45 ' OD1' ' NE2' ' A' ' 19' ' ' GLN . 29.6 m-80 -64.0 -10.12 19.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 109.861 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -104.25 -97.36 0.32 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.312 -0.868 . . . . 0.0 109.463 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.68 14.9 0.24 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 51.4 mtm180 -82.74 -176.25 6.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 0.0 108.849 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -117.9 118.65 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.394 -0.816 . . . . 0.0 109.973 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -88.77 142.51 27.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -89.13 161.57 16.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.028 -1.045 . . . . 0.0 109.017 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 16' ' ' GLY . 25.9 m -47.75 161.23 0.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.995 -1.066 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' HG22 ' A' ' 15' ' ' THR . . . 77.4 -36.44 1.56 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 15' ' ' THR . 89.6 mt-10 -90.37 147.79 23.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.339 -1.095 . . . . 0.0 110.429 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t -166.71 -154.24 0.17 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.094 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 8' ' ' ASN . 11.5 pt20 -144.36 134.32 23.95 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.947 -1.096 . . . . 0.0 110.263 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.514 ' HG2' HH11 ' A' ' 20' ' ' ARG . 0.0 OUTLIER -83.69 154.81 23.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.235 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.2 mtpm? -43.67 -18.78 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.443 -0.786 . . . . 0.0 109.974 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' ARG . 87.9 m-20 -81.23 -2.48 48.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.849 . . . . 0.0 109.863 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.37 -21.52 12.97 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -67.9 159.51 30.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.097 -1.237 . . . . 0.0 109.029 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 58.6 m-85 -80.61 151.91 28.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.128 -0.983 . . . . 0.0 109.628 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 26' ' ' LEU . 6.2 tt -139.21 112.09 7.9 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -102.96 103.02 13.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.814 0.816 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -94.58 135.55 35.91 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 14.1 p90 -155.55 113.12 3.33 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -0.966 . . . . 0.0 109.397 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.2 140.84 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.519 -0.738 . . . . 0.0 109.152 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 33' ' ' PHE . 14.8 p30 -84.31 169.0 15.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.513 -0.742 . . . . 0.0 109.972 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 m -62.09 2.23 0.25 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 0.0 109.677 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 31' ' ' ASP . 41.9 m-85 -97.52 -31.69 12.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.68 11.65 22.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -100.66 107.82 50.63 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -44.98 122.53 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.061 1.841 . . . . 0.0 112.58 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -105.21 134.44 48.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.447 -0.783 . . . . 0.0 109.005 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.96 141.39 44.48 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-O 121.724 0.773 . . . . 0.0 111.234 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -137.85 119.26 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -102.1 160.38 14.56 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.074 -1.016 . . . . 0.0 110.997 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -176.35 165.16 2.71 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -114.12 -34.94 5.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.216 -0.927 . . . . 0.0 108.554 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 18.2 mtmt -94.04 130.47 40.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.544 -0.722 . . . . 0.0 109.744 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.38 -27.79 59.24 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -139.13 150.78 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.21 65.15 0.39 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.22 -0.925 . . . . 0.0 110.034 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.9 m -149.69 -35.0 0.17 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -66.48 -160.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -134.17 -170.23 2.48 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.157 -0.964 . . . . 0.0 109.39 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 50' ' ' VAL . 33.2 m -155.94 135.8 8.34 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 121.33 -0.857 . . . . 0.0 109.141 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HG2' ' HZ3' ' A' ' 54' ' ' LYS . 91.4 Cg_exo -40.73 130.88 2.73 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 121.699 1.6 . . . . 0.0 111.834 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.44 58.16 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.196 -0.94 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.72 89.65 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HZ3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -92.36 168.71 11.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.006 -1.291 . . . . 0.0 109.931 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -79.0 143.63 35.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.641 -0.662 . . . . 0.0 109.31 -179.526 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.39 151.87 26.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 108.88 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -173.15 156.36 3.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.143 -0.973 . . . . 0.0 109.374 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.712 HD12 ' HB3' ' A' ' 62' ' ' GLU . 10.7 pt -73.83 145.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -49.28 146.86 3.45 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.178 -0.951 . . . . 0.0 109.483 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -50.63 -32.46 19.04 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.591 -0.693 . . . . 0.0 109.445 -179.305 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -56.6 -31.98 64.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.039 -1.038 . . . . 0.0 109.686 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.712 ' HB3' HD12 ' A' ' 58' ' ' ILE . 45.3 mm-40 -77.11 -46.12 24.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.997 -1.064 . . . . 0.0 108.654 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -59.02 -44.02 91.67 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 60' ' ' LEU . 12.9 mt -63.71 -40.74 90.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.98 -30.11 45.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.474 -0.766 . . . . 0.0 110.175 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -74.16 -40.37 62.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.997 -1.064 . . . . 0.0 109.008 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.55 -26.93 66.55 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 . . . . . 0 N--CA 1.497 1.917 0 CA-C-O 121.344 0.593 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD2' ' CZ ' ' A' ' 11' ' ' ARG . 21.7 p-10 -83.18 -157.78 0.25 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.454 ' ND2' ' OE1' ' A' ' 19' ' ' GLN . 34.8 m120 -87.51 19.09 3.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.21 -0.932 . . . . 0.0 110.15 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -135.13 -87.71 0.36 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.606 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.17 12.65 0.1 OUTLIER Glycine 0 N--CA 1.489 2.199 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.114 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' CZ ' ' OD2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -82.09 -171.4 3.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.312 . . . . 0.0 108.527 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -129.75 109.22 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.487 -0.758 . . . . 0.0 109.894 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.0 mt -88.86 131.97 34.87 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.262 -0.899 . . . . 0.0 108.652 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.16 172.21 9.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.06 -1.025 . . . . 0.0 109.068 -179.713 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 16' ' ' GLY . 85.6 m -47.86 157.44 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 109.639 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 15' ' ' THR . . . 77.09 -40.0 1.66 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 15' ' ' THR . 17.8 mp0 -88.51 132.03 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.121 -1.223 . . . . 0.0 109.521 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -156.98 -156.39 0.6 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.0 109.13 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.454 ' OE1' ' ND2' ' A' ' 8' ' ' ASN . 2.9 pt20 -153.71 146.64 24.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 22' ' ' ASP . 13.1 ttp180 -76.97 -149.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.707 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -95.19 -27.34 15.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.763 . . . . 0.0 109.754 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 20' ' ' ARG . 13.5 m-20 -83.81 15.88 3.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.226 -0.921 . . . . 0.0 109.608 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.05 4.91 86.72 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' CG ' ' CH2' ' A' ' 42' ' ' TRP . 93.7 mtt180 -68.76 126.28 29.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.419 -1.048 . . . . 0.0 109.796 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -74.54 135.94 42.15 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 26' ' ' LEU . 1.1 pp -140.9 152.08 44.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.028 . . . . 0.0 110.152 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -131.7 115.47 16.07 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -98.75 142.4 30.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.701 -0.624 . . . . 0.0 109.377 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 7.8 p90 -153.26 132.62 12.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.969 -1.082 . . . . 0.0 109.375 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mm -77.66 123.38 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.542 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 1.1 m-20 -77.62 -177.26 4.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.532 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -72.44 0.65 9.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 0.0 110.243 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -94.57 -26.91 16.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.282 -0.886 . . . . 0.0 109.239 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.05 17.48 22.65 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.83 111.47 41.1 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.719 -0.871 . . . . 0.0 109.566 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.74 146.72 2.13 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.932 1.755 . . . . 0.0 112.296 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.542 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 23.0 tt0 -129.48 132.16 46.86 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -97.27 150.48 20.89 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.112 -0.992 . . . . 0.0 111.732 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.37 101.72 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -96.54 169.86 9.61 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.087 -1.008 . . . . 0.0 111.83 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 1.1 p -173.85 -158.27 0.09 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.452 ' N ' ' OG ' ' A' ' 41' ' ' SER . 56.5 m95 -140.8 -32.68 0.56 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.928 -1.107 . . . . 0.0 108.894 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -98.77 130.96 45.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.368 -0.833 . . . . 0.0 110.366 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' C ' ' OG ' ' A' ' 59' ' ' SER . 59.2 tp -69.59 -39.78 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.4 m -135.56 157.17 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.88 66.83 0.1 Allowed 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' VAL . 42.5 m -150.59 -37.53 0.14 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.41 -160.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -140.7 -157.74 0.79 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.019 -1.051 . . . . 0.0 109.981 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 50' ' ' VAL . 23.7 m -154.09 123.86 3.27 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -39.8 128.98 1.98 Allowed 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.825 1.683 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 147.12 2.55 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.688 -0.632 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.33 -21.16 47.67 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -87.07 166.33 15.11 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -1.178 . . . . 0.0 109.795 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -78.79 147.36 33.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.388 -0.82 . . . . 0.0 109.491 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -83.75 159.7 21.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 109.804 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.37 162.42 2.89 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.569 HD12 ' CB ' ' A' ' 62' ' ' GLU . 9.5 pt -71.71 -165.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -95.6 140.79 29.93 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.5 tp -46.44 -22.1 0.23 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.421 -0.799 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.432 ' NH1' HD12 ' A' ' 64' ' ' ILE . 4.0 mmt-85 -72.29 -32.22 66.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.265 -0.897 . . . . 0.0 108.908 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.569 ' CB ' HD12 ' A' ' 58' ' ' ILE . 70.4 mt-10 -75.78 -38.86 57.88 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.213 -0.929 . . . . 0.0 108.648 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HG2' HD11 ' A' ' 58' ' ' ILE . 55.6 mttt -63.97 -44.26 93.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.432 HD12 ' NH1' ' A' ' 61' ' ' ARG . 30.9 mt -57.87 -42.87 83.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.98 60.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.575 -0.703 . . . . 0.0 110.258 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -71.9 -34.64 69.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 108.988 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -68.28 -35.82 78.44 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.335 -0.853 . . . . 0.0 109.256 179.653 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 25.7 p-10 -82.78 -162.18 0.56 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.799 . . . . 0.0 109.654 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -86.69 -6.36 58.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.282 -0.886 . . . . 0.0 109.647 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -107.64 -88.08 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.377 -0.827 . . . . 0.0 109.709 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.07 10.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 7' ' ' ASP . 28.6 mtm-85 -84.39 -174.58 5.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.015 -1.286 . . . . 0.0 108.789 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -122.26 120.33 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.315 -0.866 . . . . 0.0 109.902 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.8 mt -87.19 140.77 29.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' GLY . 27.7 mmtt -88.41 155.32 19.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.316 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.2 m -46.76 92.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.273 -0.892 . . . . 0.0 109.438 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 159.46 -50.29 0.39 Allowed Glycine 0 N--CA 1.486 1.987 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 11.3 mp0 -89.57 122.74 33.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -1.095 . . . . 0.0 109.888 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -152.6 122.45 6.97 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -60.94 157.37 15.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.122 -0.986 . . . . 0.0 110.003 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -108.24 -137.43 0.37 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.638 0.732 . . . . 0.0 110.348 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 4.2 mtpm? -89.14 -25.53 21.8 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.512 -0.743 . . . . 0.0 110.342 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . 52.0 m-20 -82.29 2.15 33.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.919 -1.113 . . . . 0.0 109.993 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -19.8 5.77 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' NE ' ' CB ' ' A' ' 22' ' ' ASP . 9.0 ptp180 -67.76 157.01 35.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.343 -1.093 . . . . 0.0 109.3 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -74.87 143.8 43.67 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.104 -0.998 . . . . 0.0 108.629 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.14 112.38 11.08 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.7 t80 -101.4 99.85 10.25 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.626 0.727 . . . . 0.0 109.3 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -97.15 134.35 40.59 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 30.4 p90 -154.25 138.93 16.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.819 -1.176 . . . . 0.0 110.221 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -74.81 127.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 33' ' ' PHE . 5.0 m-20 -79.51 168.87 18.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 109.548 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -62.8 5.52 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.331 -0.856 . . . . 0.0 110.269 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 31' ' ' ASP . 24.9 m-85 -100.24 -30.63 11.79 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.076 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.44 29.75 4.95 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 3.6 pt-20 -130.76 113.9 16.53 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.645 -0.915 . . . . 0.0 108.715 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -42.24 154.41 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.97 1.78 . . . . 0.0 112.204 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -134.5 132.15 38.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.478 -0.764 . . . . 0.0 109.615 -179.169 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.529 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 7.5 m-85 -101.81 126.1 48.62 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.324 -0.86 . . . . 0.0 111.531 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG23 ' NE2' ' A' ' 37' ' ' GLN . 98.9 t -128.48 118.74 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -102.02 159.46 15.34 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.56 156.74 1.19 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -106.62 -37.09 6.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.345 -0.847 . . . . 0.0 109.407 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.61 132.48 39.28 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.2 -33.34 63.39 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -137.43 149.89 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.82 65.49 0.09 Allowed 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.136 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' VAL . 4.7 m -151.19 -33.83 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.92 -158.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.456 -0.777 . . . . 0.0 109.093 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 50' ' ' VAL . 29.8 mmt180 -130.6 -163.76 1.35 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.175 -0.953 . . . . 0.0 109.246 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 50' ' ' VAL . 20.2 m -157.51 118.07 2.0 Allowed Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.251 -0.905 . . . . 0.0 109.218 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.28 141.81 3.02 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.926 1.751 . . . . 0.0 112.691 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.36 157.22 3.84 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.594 -0.691 . . . . 0.0 109.665 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -14.97 57.22 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.9 mptt -88.23 153.18 21.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -1.174 . . . . 0.0 109.388 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -81.18 116.21 20.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.362 -0.836 . . . . 0.0 109.387 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -50.42 151.7 2.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.117 -0.989 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.97 160.72 6.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.326 -0.859 . . . . 0.0 108.878 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 pt -73.57 142.96 14.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.221 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 p -47.83 149.47 1.3 Allowed 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.355 -0.841 . . . . 0.0 109.595 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -47.77 -53.35 15.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.056 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -45.27 -31.62 1.63 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 0.0 110.187 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.61 -29.46 45.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.698 -1.251 . . . . 0.0 108.125 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' LEU . 71.7 mttt -72.17 -45.75 59.15 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 7.0 mt -62.05 -39.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.53 66.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.93 -34.04 68.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.051 -1.03 . . . . 0.0 109.557 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.22 -41.0 94.85 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.454 -0.779 . . . . 0.0 109.626 179.655 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' A' ' 6' ' ' ARG . 1.9 mtt-85 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 22.7 p-10 -83.48 -176.75 6.46 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.192 -0.942 . . . . 0.0 109.189 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -65.36 -6.82 11.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.155 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.33 -96.62 0.3 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.493 -0.755 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.33 16.85 0.11 Allowed Glycine 0 N--CA 1.492 2.413 0 C-N-CA 119.569 -1.3 . . . . 0.0 109.909 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 71.4 mtm180 -84.01 -165.18 1.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.204 -1.174 . . . . 0.0 109.265 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.46 HD13 HH11 ' A' ' 6' ' ' ARG . 4.1 mm -133.03 122.99 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.431 -0.793 . . . . 0.0 109.183 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' H ' HD12 ' A' ' 13' ' ' LEU . 4.9 mp -89.41 154.38 20.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 108.762 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -88.47 161.86 16.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.09 -1.006 . . . . 0.0 108.712 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' GLY . 30.0 m -46.79 162.19 0.05 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.056 -1.028 . . . . 0.0 109.49 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' THR . . . 80.28 -38.79 2.25 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' OE2' ' CD1' ' A' ' 27' ' ' TYR . 17.1 mp0 -94.1 145.86 24.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.295 -1.121 . . . . 0.0 110.275 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -179.74 137.95 0.13 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.68 143.73 47.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.076 -1.015 . . . . 0.0 109.563 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.528 ' NH1' ' H ' ' A' ' 22' ' ' ASP . 4.0 ptm180 -97.83 -151.31 0.37 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.346 -0.846 . . . . 0.0 110.063 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -78.32 -26.35 46.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.157 -0.965 . . . . 0.0 111.163 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.528 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 99.5 m-20 -80.89 2.48 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.823 -1.173 . . . . 0.0 110.286 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -24.64 3.55 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -67.23 158.44 31.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.347 . . . . 0.0 109.187 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.65 151.34 39.32 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.284 -0.885 . . . . 0.0 109.335 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.18 127.42 21.15 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 28.5 t80 -121.67 105.23 10.23 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -88.36 139.88 30.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 4.1 p90 -151.0 136.49 17.82 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.946 -1.097 . . . . 0.0 109.58 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -80.44 125.01 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.718 -0.614 . . . . 0.0 109.504 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -79.93 -178.74 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -78.49 11.2 2.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 109.866 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -100.81 -29.41 12.27 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.42 33.44 3.91 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 3.2 pt-20 -140.88 117.16 7.57 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.453 -1.027 . . . . 0.0 108.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.07 157.59 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.845 1.696 . . . . 0.0 112.543 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -135.2 136.85 42.1 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.459 -0.776 . . . . 0.0 109.304 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -100.34 126.7 46.72 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.268 -0.895 . . . . 0.0 111.271 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.49 119.24 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.83 153.12 20.12 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.096 -1.003 . . . . 0.0 111.453 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -173.3 142.77 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -96.68 -26.24 15.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 10.1 mtpp -96.6 134.5 39.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.527 -0.733 . . . . 0.0 110.212 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD11 ' CZ ' ' A' ' 61' ' ' ARG . 43.9 tp -79.94 -26.19 40.17 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.7 m -145.41 155.91 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -70.1 67.16 0.29 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.362 -0.837 . . . . 0.0 109.722 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' VAL . 36.4 m -149.87 -40.46 0.14 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.551 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 1.7 m-20 -67.98 -169.57 0.14 Allowed 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.564 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -138.39 149.77 45.87 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.122 -0.986 . . . . 0.0 109.391 179.399 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 50' ' ' VAL . 19.4 m -85.2 137.7 37.04 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.536 -0.728 . . . . 0.0 109.566 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.83 160.0 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.074 1.182 . . . . 0.0 111.034 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -57.43 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.395 -0.816 . . . . 0.0 111.709 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -2.07 0.05 OUTLIER Glycine 0 N--CA 1.494 2.512 0 O-C-N 121.276 -0.89 . . . . 0.0 111.742 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 52' ' ' ALA . 5.3 mptt -91.71 157.84 16.71 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.531 -1.57 . . . . 0.0 109.989 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -81.92 174.24 11.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 0.0 109.313 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -98.25 145.48 26.6 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.267 -0.896 . . . . 0.0 109.138 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' ILE . . . -166.18 63.4 0.1 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.22 -0.925 . . . . 0.0 110.032 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 62' ' ' GLU . 6.1 pt 24.27 -140.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.327 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.429 ' OG ' ' OE2' ' A' ' 62' ' ' GLU . 1.1 p -124.47 147.45 48.32 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -49.21 -36.54 20.22 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.262 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.484 ' CZ ' HD11 ' A' ' 44' ' ' LEU . 10.2 mpt_? -62.4 -27.49 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 0.0 109.469 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -77.27 -41.34 41.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.529 -1.357 . . . . 0.0 107.867 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.501 ' HG2' HD11 ' A' ' 58' ' ' ILE . 41.6 mttm -67.03 -58.13 5.52 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.52 ' CD1' HD22 ' A' ' 60' ' ' LEU . 6.5 mt -44.96 -46.28 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.99 63.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.787 . . . . 0.0 110.103 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.049 -1.032 . . . . 0.0 109.351 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.06 -38.65 79.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.45 -0.781 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 109.583 -179.851 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 18.1 p-10 -81.89 -172.46 3.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.941 . . . . 0.0 109.98 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -91.82 4.88 51.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.372 -0.83 . . . . 0.0 110.152 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -103.12 -52.28 3.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.187 -0.945 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.25 -0.9 0.43 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NH1' HD23 ' A' ' 44' ' ' LEU . 65.5 mtm180 -79.72 -160.4 0.26 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.109 -1.23 . . . . 0.0 108.391 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mm -131.86 120.71 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.226 -0.921 . . . . 0.0 109.842 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -89.11 141.32 28.61 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.195 -0.941 . . . . 0.0 108.555 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -91.01 -167.46 1.82 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.081 -1.012 . . . . 0.0 109.737 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 16' ' ' GLY . 53.4 m -72.09 169.27 16.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.175 -0.953 . . . . 0.0 108.556 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.571 ' N ' HG22 ' A' ' 15' ' ' THR . . . 71.09 -49.3 0.89 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -90.36 140.68 29.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.383 -1.069 . . . . 0.0 109.33 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.0 p -156.32 -133.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.178 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -159.75 142.19 13.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -0.919 . . . . 0.0 109.466 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -85.15 -153.49 0.17 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.272 -0.893 . . . . 0.0 110.075 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -95.41 -23.35 17.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.413 -0.804 . . . . 0.0 110.621 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 1.92 28.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.054 -1.029 . . . . 0.0 109.906 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.74 -16.77 58.51 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -68.41 154.72 41.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.198 -1.177 . . . . 0.0 109.219 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -74.84 154.92 38.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.268 -0.895 . . . . 0.0 109.078 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -138.9 133.93 32.56 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.389 -0.819 . . . . 0.0 108.91 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -129.59 102.89 6.56 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -96.57 137.24 35.94 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 11.9 p90 -152.13 135.23 15.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.897 -1.127 . . . . 0.0 109.526 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.38 126.16 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.641 -0.662 . . . . 0.0 109.595 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.4 m-20 -80.18 177.91 8.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.214 -0.929 . . . . 0.0 109.489 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -75.24 11.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.813 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.54 -30.38 11.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.0 34.03 3.86 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -140.09 115.46 7.84 Favored Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.598 -0.942 . . . . 0.0 108.913 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -42.77 159.84 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.874 1.716 . . . . 0.0 112.389 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.575 ' NE2' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -136.36 127.85 28.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.371 -0.83 . . . . 0.0 109.512 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.481 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 9.3 m-85 -96.85 128.65 44.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.297 -0.877 . . . . 0.0 111.351 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.575 HG23 ' NE2' ' A' ' 37' ' ' GLN . 77.3 t -127.52 116.88 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -102.41 147.58 26.54 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.209 -0.932 . . . . 0.0 110.987 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.8 148.1 17.27 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -101.91 -38.08 7.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.131 -0.981 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -91.54 125.7 36.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.567 -0.708 . . . . 0.0 109.777 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD23 ' NH1' ' A' ' 11' ' ' ARG . 58.6 tp -73.54 -25.53 60.43 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.1 m -142.28 152.25 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' N ' ' HB3' ' A' ' 59' ' ' SER . . . -70.47 66.31 0.32 Allowed 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.735 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' VAL . 20.7 m -151.82 -35.56 0.13 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.34 -166.67 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.654 -0.654 . . . . 0.0 109.561 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -131.93 -154.94 0.65 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -156.67 133.69 6.52 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.008 -1.057 . . . . 0.0 109.898 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -41.82 132.59 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.061 1.841 . . . . 0.0 112.494 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 147.38 6.77 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.381 -0.825 . . . . 0.0 109.29 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.03 51.72 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 54' ' ' LYS . 11.3 mptt -87.52 155.51 19.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -1.17 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -79.41 140.01 37.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.161 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -69.59 158.0 36.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.962 . . . . 0.0 109.384 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -169.07 157.35 7.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.0 108.931 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 62' ' ' GLU . 5.9 pt -72.02 163.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.407 ' HB3' ' N ' ' A' ' 46' ' ' ALA . 1.3 p -65.27 156.23 32.65 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 121.076 -1.015 . . . . 0.0 109.949 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' HG ' HD12 ' A' ' 64' ' ' ILE . 17.0 tp -52.6 -46.28 66.92 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -56.58 -29.19 61.78 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.181 -0.949 . . . . 0.0 110.015 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HB3' HD12 ' A' ' 58' ' ' ILE . 39.7 mm-40 -74.45 -37.12 63.33 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -66.52 -64.17 0.91 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.455 HD12 ' HG ' ' A' ' 60' ' ' LEU . 6.9 mt -48.86 -39.53 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.344 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 61' ' ' ARG . . . -53.21 -38.16 62.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.328 -0.858 . . . . 0.0 110.383 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -72.94 -36.1 67.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.823 -1.173 . . . . 0.0 108.845 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.98 -27.88 61.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.463 -0.773 . . . . 0.0 111.287 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 N--CA 1.498 1.961 0 O-C-N 120.628 -1.295 . . . . 0.0 110.638 -178.191 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -153.91 146.92 24.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.264 -0.897 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.67 ' NE ' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -80.04 117.99 21.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.267 -0.896 . . . . 0.0 109.412 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HE ' ' HA2' ' A' ' 10' ' ' GLY . 4.3 mmm-85 -105.63 155.22 19.44 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -81.76 -165.97 1.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.54 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -79.24 10.57 3.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 0.0 109.844 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -134.22 -93.9 0.3 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.89 . . . . 0.0 109.554 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA2' ' HE ' ' A' ' 6' ' ' ARG . . . -151.48 8.59 0.65 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.448 HH21 HD23 ' A' ' 44' ' ' LEU . 10.7 mtp180 -84.75 145.2 28.04 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -1.153 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mm -90.64 124.84 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 110.054 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.69 157.67 18.46 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -88.78 157.66 18.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.868 -1.145 . . . . 0.0 109.03 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 16' ' ' GLY . 88.6 m -47.3 168.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.989 -1.069 . . . . 0.0 109.486 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 15' ' ' THR . . . 74.69 -41.19 1.19 Allowed Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 15' ' ' THR . 45.8 mt-10 -92.1 164.12 13.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.273 -1.134 . . . . 0.0 110.223 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 19' ' ' GLN . 27.6 t -175.99 -147.03 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.533 ' N ' ' OG ' ' A' ' 18' ' ' SER . 11.4 pt20 -150.33 129.34 12.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.855 -1.153 . . . . 0.0 109.81 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.95 -153.31 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.413 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -94.7 -20.54 19.45 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.378 -0.826 . . . . 0.0 108.793 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.55 -2.85 56.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.506 -0.746 . . . . 0.0 109.641 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -14.06 66.04 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.584 HH12 ' H72' ' C' ' 119' ' ' ' DT' . 11.3 ptp180 -67.45 164.27 19.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.963 -1.316 . . . . 0.0 109.175 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -87.11 149.03 24.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.094 -1.004 . . . . 0.0 110.222 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tp -137.73 142.52 40.99 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -130.96 97.89 4.44 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -92.17 137.13 32.62 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -156.45 138.22 14.26 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.734 -1.229 . . . . 0.0 110.622 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.16 112.6 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -81.15 -179.23 7.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.228 -0.92 . . . . 0.0 109.849 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -77.41 13.77 1.13 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.791 . . . . 0.0 109.885 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -96.36 -30.04 13.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.256 -0.903 . . . . 0.0 108.73 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 27.42 6.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -154.31 124.68 3.38 Favored Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.304 -1.115 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -39.8 155.91 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.105 1.87 . . . . 0.0 112.827 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -127.89 131.56 49.4 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.464 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 6.5 m-85 -96.36 122.71 39.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.454 -0.779 . . . . 0.0 111.322 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.64 120.99 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -100.61 156.15 17.47 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.023 -1.048 . . . . 0.0 111.096 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.8 t -175.78 148.77 0.89 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -102.08 -30.37 11.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.198 -0.938 . . . . 0.0 108.715 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 9.6 mtmm -97.12 129.61 44.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.666 -0.646 . . . . 0.0 109.875 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD23 HH21 ' A' ' 11' ' ' ARG . 48.1 tp -71.49 -31.55 67.24 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.78 158.88 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.33 58.86 1.72 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.268 -0.895 . . . . 0.0 110.793 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.5 p -148.93 -28.14 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.32 -0.862 . . . . 0.0 108.731 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.43 -155.0 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.404 -0.81 . . . . 0.0 110.062 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -135.24 -162.47 1.26 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.265 -0.897 . . . . 0.0 109.078 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 50' ' ' VAL . 35.4 m -153.77 131.82 6.44 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 120.954 -1.091 . . . . 0.0 109.621 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -40.97 132.36 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.086 1.858 . . . . 0.0 112.587 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 141.88 23.98 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.384 -0.823 . . . . 0.0 109.594 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.44 -16.02 61.24 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.55 ' HZ2' ' P ' ' C' ' 118' ' ' ' DT' . 0.0 OUTLIER -88.21 157.38 18.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -1.19 . . . . 0.0 109.44 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -78.94 162.24 26.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.372 -0.83 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.06 157.38 17.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -172.38 157.82 4.17 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 62' ' ' GLU . 7.3 pt -74.29 140.98 16.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.814 -1.179 . . . . 0.0 108.023 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.83 152.07 0.39 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.481 -0.762 . . . . 0.0 109.998 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -53.56 -39.6 64.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -55.29 -30.23 59.73 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.383 -0.823 . . . . 0.0 109.495 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HB3' HD12 ' A' ' 58' ' ' ILE . 42.5 mm-40 -79.13 -40.31 31.37 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 120.98 -1.075 . . . . 0.0 108.477 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.88 -51.99 62.02 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.513 ' CD1' HD22 ' A' ' 60' ' ' LEU . 10.4 mt -53.37 -47.78 57.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.27 -28.96 20.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.747 . . . . 0.0 110.045 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.2 -36.25 61.42 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.94 -1.1 . . . . 0.0 108.762 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.72 -35.8 72.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.614 -0.679 . . . . 0.0 110.1 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -81.15 -37.71 28.35 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.069 -1.02 . . . . 0.0 109.643 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -73.23 -103.42 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.273 -0.892 . . . . 0.0 109.922 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -156.95 93.62 1.36 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.826 . . . . 0.0 109.347 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.199 -0.938 . . . . 0.0 109.454 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.644 1 O4'-C1'-N19 112.015 5.269 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.466 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.466 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.448 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.559 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.575 ' N7 ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C1'-N19 110.644 3.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.548 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.577 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.597 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.597 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.354 4.443 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.0 4.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.464 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.203 1 O4'-C1'-N19 111.455 4.569 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.404 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.585 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.605 0 O4'-C1'-N19 110.562 3.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.585 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.718 4.897 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.533 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.186 1 O4'-C1'-N19 111.545 4.681 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.55 ' P ' ' HZ2' ' A' ' 54' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.422 3.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.584 ' H72' HH12 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.768 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.513 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.569 3.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.464 ' N4 ' ' CE2' ' A' ' 38' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 2.736 0 C3'-C2'-C1' 107.271 3.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.641 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.641 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.623 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.888 1 O4'-C1'-N19 111.826 5.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.442 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.412 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.371 3.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -82.23 116.6 21.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.26 -0.9 . . . . 0.0 109.135 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' NH1' ' OP1' ' B' ' 104' ' ' ' DT' . 50.8 ttt180 -79.86 170.27 16.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.202 -0.936 . . . . 0.0 109.36 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.723 HH11 ' CB ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -128.27 156.93 42.23 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.562 -0.711 . . . . 0.0 109.479 -179.654 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -81.18 -169.1 2.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -87.76 18.9 3.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.527 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.506 HH11 ' HG2' ' A' ' 9' ' ' ARG . 3.7 mmt-85 -135.05 -88.27 0.36 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.424 -0.797 . . . . 0.0 109.63 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.98 8.2 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -82.66 -165.68 1.11 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.1 -1.235 . . . . 0.0 108.365 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -135.31 123.73 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.03 -1.044 . . . . 0.0 109.456 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.05 140.51 29.37 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.309 -0.87 . . . . 0.0 108.766 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' CG ' ' H ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -88.73 -154.66 0.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.996 -1.065 . . . . 0.0 109.277 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.514 ' H ' ' CG ' ' A' ' 14' ' ' LYS . 55.2 m -86.17 157.36 20.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.913 . . . . 0.0 108.954 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 15' ' ' THR . . . 74.84 -29.27 1.08 Allowed Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' A' ' 15' ' ' THR . 50.5 mt-10 -89.89 132.15 35.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.384 -1.068 . . . . 0.0 109.961 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 5.1 m -167.69 163.5 14.35 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.534 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 6.5 mp0 -104.68 139.48 39.44 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.218 -0.926 . . . . 0.0 110.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.526 HH12 ' N6 ' ' C' ' 120' ' ' ' DA' . 15.0 ttt180 -69.2 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -95.66 -19.5 19.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 0.0 109.121 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.15 -4.0 58.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -12.12 68.99 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' NH1' ' C7 ' ' C' ' 119' ' ' ' DT' . 8.4 ptp180 -67.44 137.57 55.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -1.135 . . . . 0.0 108.952 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.69 146.82 41.99 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.072 -1.017 . . . . 0.0 109.161 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.81 142.14 29.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.149 -0.97 . . . . 0.0 109.038 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 49.8 t80 -110.54 104.44 13.16 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -97.78 132.39 43.44 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.485 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 27.4 p90 -155.9 127.46 7.28 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.055 -1.028 . . . . 0.0 109.475 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.61 135.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 33' ' ' PHE . 12.7 p30 -80.55 164.64 22.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.41 -0.806 . . . . 0.0 109.387 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 t -63.69 6.56 0.15 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.783 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' H ' ' C ' ' A' ' 31' ' ' ASP . 27.9 m-85 -98.55 -28.5 13.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 108.697 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.49 35.01 3.69 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -131.64 108.64 14.45 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.645 -0.914 . . . . 0.0 109.484 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -42.49 144.96 1.08 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.127 1.885 . . . . 0.0 112.201 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -131.71 113.45 13.58 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 110.025 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -93.12 141.85 27.95 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 122.07 0.938 . . . . 0.0 111.672 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -139.56 114.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.02 167.89 9.95 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-O 122.221 1.01 . . . . 0.0 112.16 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.5 170.85 1.02 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -114.81 -33.83 5.34 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.035 -1.041 . . . . 0.0 109.802 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.76 117.91 30.89 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.0 109.317 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.55 -28.54 69.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.861 -1.149 . . . . 0.0 108.086 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.7 m -138.43 144.8 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.76 66.77 0.06 Allowed 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.157 -0.964 . . . . 0.0 110.16 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.2 m -150.27 -34.13 0.17 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.28 -161.49 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.591 -0.693 . . . . 0.0 109.22 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -135.88 -160.52 1.06 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.211 -0.93 . . . . 0.0 109.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 50' ' ' VAL . 35.4 m -155.07 119.83 2.56 Favored Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -40.88 133.36 2.64 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.735 1.624 . . . . 0.0 112.381 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.33 156.62 0.57 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.537 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.96 -20.82 33.9 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -88.73 158.46 18.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.199 -1.177 . . . . 0.0 109.285 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 mmp_? -78.35 137.83 38.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.268 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.35 153.67 42.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.22 160.19 15.81 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.301 -0.874 . . . . 0.0 108.786 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.627 HD11 ' HG2' ' A' ' 63' ' ' LYS . 9.5 pt -70.78 -177.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' GLU . 7.6 t -86.68 146.91 26.11 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.947 -1.096 . . . . 0.0 109.512 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.45 -33.63 4.12 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.506 0.67 . . . . 0.0 109.29 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -64.63 -31.23 72.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.743 . . . . 0.0 109.45 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.615 ' HB3' HD12 ' A' ' 58' ' ' ILE . 45.5 mm-40 -76.03 -41.29 51.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.969 -1.082 . . . . 0.0 108.245 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.627 ' HG2' HD11 ' A' ' 58' ' ' ILE . 68.0 mttt -62.25 -51.44 67.71 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -49.72 -38.48 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.86 72.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.482 -0.761 . . . . 0.0 110.508 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 71' ' ' ILE . 1.2 mm-40 -71.99 -32.59 67.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.062 -1.024 . . . . 0.0 109.328 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' C ' ' H ' ' A' ' 69' ' ' LYS . 14.8 mt -67.32 -41.5 85.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 108.905 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -80.97 26.73 0.41 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 67' ' ' LEU . 37.7 tttp -163.02 -110.32 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -156.88 -93.01 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.004 . . . . 0.0 109.382 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.434 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 76.8 mt . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.218 -0.926 . . . . 0.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.68 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 110.556 3.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.68 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.392 4.49 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.283 0 O4'-C1'-N19 110.511 3.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.682 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.226 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.682 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.72 1 O4'-C1'-N19 111.681 4.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.531 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.324 1 O4'-C1'-N19 111.434 4.542 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.581 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.737 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.581 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.57 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.118 4.148 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.57 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.255 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.495 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.48 0 O4'-C1'-N19 110.398 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.413 3.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.604 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.604 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.041 1 O4'-C1'-N19 111.689 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.539 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.059 1 O4'-C1'-N19 111.612 4.765 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.638 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.412 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.638 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.526 ' N6 ' HH12 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.754 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.516 H2'' " O5'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.9 0 O4'-C1'-N19 110.401 3.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.538 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.986 1 O4'-C1'-N19 111.561 4.702 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.678 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.679 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.678 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.608 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 111.669 4.836 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.608 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.928 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -147.96 145.81 28.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.314 -0.866 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -81.38 159.81 24.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.418 -0.801 . . . . 0.0 109.446 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -132.77 160.55 36.53 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -81.86 -177.31 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.009 . . . . 0.0 109.533 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.25 -1.33 5.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 109.817 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -106.86 -90.44 0.43 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -0.781 . . . . 0.0 109.142 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.7 16.91 0.09 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.418 ' NH1' HD23 ' A' ' 44' ' ' LEU . 54.7 mtm180 -84.88 -178.72 6.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -1.102 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -114.35 116.82 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mt -86.27 141.24 29.41 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.15 169.18 12.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.74 -1.225 . . . . 0.0 109.855 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -53.27 159.0 1.44 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.314 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' H ' ' P ' ' B' ' 103' ' ' ' DG' . . . 78.7 -38.67 1.93 Allowed Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 18' ' ' SER . 40.4 mt-10 -91.48 145.06 24.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.387 -1.067 . . . . 0.0 109.878 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 14.6 m -166.83 -152.88 0.14 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.416 -0.802 . . . . 0.0 108.951 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' NE2' ' N ' ' A' ' 19' ' ' GLN . 1.4 pm0 -146.87 171.57 15.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.047 -1.033 . . . . 0.0 109.898 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' NH1' ' O6 ' ' B' ' 106' ' ' ' DG' . 4.4 mmm180 -118.94 -162.49 0.91 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.68 -0.637 . . . . 0.0 109.297 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -71.6 -26.92 62.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.848 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -82.12 1.33 36.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 -5.35 50.93 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.615 ' NH2' ' CE2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -68.69 148.12 50.86 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.101 -1.235 . . . . 0.0 108.815 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -76.82 153.23 35.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.779 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 tp -143.86 121.83 12.07 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 47.1 t80 -102.84 104.01 14.24 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -100.3 133.99 43.91 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 33.1 p90 -156.94 135.27 11.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 0.0 110.113 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -72.44 118.99 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.522 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.7 m-20 -81.49 170.5 15.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.139 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.9 m -69.45 14.06 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.537 -0.727 . . . . 0.0 109.732 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.492 ' H ' ' C ' ' A' ' 31' ' ' ASP . 25.6 m-85 -96.95 -28.68 14.08 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.78 31.39 5.75 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -151.81 120.81 3.4 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -1.121 . . . . 0.0 109.267 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.41 151.83 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.05 1.833 . . . . 0.0 112.719 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -128.94 137.28 51.31 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HD2' ' HH ' ' A' ' 40' ' ' TYR . 22.7 m-85 -109.98 130.99 55.45 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.463 -0.773 . . . . 0.0 110.987 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.27 112.38 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.446 ' HH ' ' HD2' ' A' ' 38' ' ' PHE . 96.6 m-85 -99.88 164.54 11.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.223 -0.923 . . . . 0.0 111.02 -177.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -176.53 -172.49 0.46 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CE2' ' NH2' ' A' ' 24' ' ' ARG . 74.7 m95 -133.21 -42.95 0.87 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.232 -0.917 . . . . 0.0 109.555 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 11.7 mtpp -90.61 124.78 35.32 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.29 -0.881 . . . . 0.0 109.756 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 HD23 ' NH1' ' A' ' 11' ' ' ARG . 57.1 tp -65.75 -37.79 87.31 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -136.03 157.47 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 65.39 0.23 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.156 -0.965 . . . . 0.0 109.774 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' VAL . 12.1 m -151.72 -31.48 0.16 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 8.0 m-20 -69.59 -158.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 108.824 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.3 OUTLIER -134.63 -163.91 1.44 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.105 -0.997 . . . . 0.0 109.225 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 50' ' ' VAL . 27.6 m -155.83 117.38 2.28 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.44 138.24 7.65 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.764 1.642 . . . . 0.0 112.436 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.93 156.71 1.94 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.699 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.3 52.86 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.7 mptt -87.83 157.31 19.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -1.15 . . . . 0.0 109.353 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -78.52 113.76 16.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.84 . . . . 0.0 109.335 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -50.37 155.65 0.99 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.205 -0.934 . . . . 0.0 109.374 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.25 168.11 3.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.117 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.565 HD11 ' HG2' ' A' ' 63' ' ' LYS . 8.3 pt -71.14 -153.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' GLU . 5.5 p -105.07 143.4 33.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.1 tp -46.93 -33.42 4.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -67.73 -29.79 69.12 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.511 -0.743 . . . . 0.0 109.247 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' SER . 29.5 mt-10 -77.36 -37.87 51.36 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HG2' HD11 ' A' ' 58' ' ' ILE . 63.5 mttt -65.09 -52.5 55.18 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.72 -40.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.26 64.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.618 -0.676 . . . . 0.0 110.288 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.93 -31.81 64.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.883 -1.136 . . . . 0.0 109.391 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.26 -28.53 67.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 109.323 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -80.08 4.53 16.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 0.0 109.06 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -165.96 102.2 0.66 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -86.19 66.32 9.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.582 -0.699 . . . . 0.0 109.68 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.486 ' C ' HD12 ' A' ' 71' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.339 -0.851 . . . . 0.0 109.189 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 112.062 5.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.683 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.683 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.62 1 O4'-C1'-N19 111.575 4.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.578 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.485 3.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.578 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.157 4.196 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.523 ' C6 ' ' C6 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.437 4.546 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.523 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.384 4.48 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.623 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.557 3.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.623 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.982 1 O4'-C1'-N19 111.074 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.492 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.481 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.35 1 O4'-C1'-N19 111.466 4.583 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.418 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.782 0 O4'-C1'-N19 110.465 3.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.433 3.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.514 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.58 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.797 3.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.58 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.884 5.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.537 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.199 1 O4'-C1'-N19 111.099 4.124 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.532 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.44 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.482 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.547 0 C3'-C2'-C1' 107.174 3.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.706 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.863 5.078 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.706 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.57 0 O4'-C1'-N19 110.47 3.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.645 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.772 4.965 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.468 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.097 4.121 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.468 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.17 132.08 22.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.196 -0.94 . . . . 0.0 109.166 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.612 ' CG ' HH11 ' A' ' 5' ' ' ARG . 0.0 OUTLIER -81.88 162.79 22.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.187 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -135.77 154.54 51.19 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.368 -0.833 . . . . 0.0 109.489 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 20.2 p-10 -84.3 -172.49 4.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.416 -0.802 . . . . 0.0 109.722 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -90.1 4.07 51.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.381 -0.825 . . . . 0.0 109.682 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -104.47 -61.9 1.39 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.0 -2.78 0.07 OUTLIER Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.709 -1.234 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -161.39 0.35 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.912 -1.346 . . . . 0.0 108.594 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -130.43 122.04 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.252 -0.905 . . . . 0.0 109.437 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.88 135.81 33.54 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' GLY . 8.4 tptt -87.96 169.69 11.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 109.817 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.2 m -53.49 88.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.295 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 161.62 -54.57 0.32 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -87.78 142.27 27.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.125 -1.22 . . . . 0.0 110.028 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -145.57 -136.76 0.09 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.399 -0.813 . . . . 0.0 109.445 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -160.07 150.48 18.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.146 -0.971 . . . . 0.0 109.691 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.632 HH22 ' N6 ' ' B' ' 105' ' ' ' DA' . 5.7 tpt180 -108.01 -162.25 0.82 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.475 -0.765 . . . . 0.0 109.844 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -23.95 58.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.922 . . . . 0.0 109.094 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.03 0.58 35.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.041 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.64 -14.82 22.55 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' NH2' ' OP2' ' C' ' 118' ' ' ' DT' . 10.0 ptp180 -67.57 162.94 22.33 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.1 -1.235 . . . . 0.0 109.2 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -80.41 156.58 26.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 109.937 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' CD2' HH11 ' A' ' 20' ' ' ARG . 6.6 tp -136.69 116.91 13.49 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.622 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 31.5 t80 -109.29 98.07 7.56 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -96.52 134.09 40.16 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.622 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 34.9 p90 -156.42 147.51 22.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.044 -1.035 . . . . 0.0 110.132 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mm -78.53 130.57 36.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 33' ' ' PHE . 35.8 p30 -80.51 163.68 23.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.029 . . . . 0.0 109.82 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -64.38 5.57 0.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 109.906 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.5 m-85 -99.29 -29.35 12.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.25 -0.906 . . . . 0.0 108.632 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' OE2' ' A' ' 35' ' ' GLU . . . 106.54 33.61 3.31 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 34' ' ' GLY . 58.0 mm-40 -138.92 119.68 9.8 Favored Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.488 -1.007 . . . . 0.0 109.292 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.08 154.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.86 1.707 . . . . 0.0 112.382 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -137.9 117.7 13.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.36 -0.838 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -91.36 133.44 35.44 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.3 -0.875 . . . . 0.0 110.539 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.14 119.21 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.17 161.45 14.25 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.234 -0.916 . . . . 0.0 111.353 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.04 164.47 6.19 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -109.49 -35.43 6.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.185 -0.947 . . . . 0.0 109.184 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.0 mtmm -97.53 130.09 44.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.532 -0.73 . . . . 0.0 109.897 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.37 -35.26 77.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.38 155.97 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.05 67.51 0.65 Allowed 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.934 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -149.36 -37.83 0.16 Allowed 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.32 -162.25 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -132.06 -160.44 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.9 m -155.78 135.64 8.3 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.289 -0.882 . . . . 0.0 109.028 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 77.4 Cg_exo -42.56 144.13 1.37 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.822 1.681 . . . . 0.0 112.458 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.6 139.09 57.95 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.24 -0.913 . . . . 0.0 109.68 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.05 3.07 68.19 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 51' ' ' PRO . 2.2 mmpm? -88.29 157.89 18.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.037 -1.272 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -80.17 109.4 14.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.135 -0.978 . . . . 0.0 108.643 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -46.55 149.39 0.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -168.01 154.4 7.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 62' ' ' GLU . 7.3 pt -74.14 144.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 120.771 -1.205 . . . . 0.0 108.499 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 p -46.7 148.18 1.08 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -49.05 -49.15 42.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.1 -1.0 . . . . 0.0 108.901 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -49.18 -30.92 7.53 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.492 -0.755 . . . . 0.0 109.87 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB3' HD12 ' A' ' 58' ' ' ILE . 37.1 mm-40 -78.61 -31.78 47.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.708 -1.245 . . . . 0.0 107.985 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.0 mttm -68.54 -57.0 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mt -47.12 -43.12 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.06 66.04 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.37 -0.831 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -74.71 -34.58 62.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 0.0 109.665 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.21 -31.3 70.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.355 -0.841 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.29 -44.07 18.21 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.852 . . . . 0.0 109.176 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -73.55 -99.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 109.378 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -155.69 -73.64 0.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.287 -0.883 . . . . 0.0 109.444 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.6 tt . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.005 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.399 1 O4'-C1'-N19 111.967 5.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.423 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.739 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.501 ' C2 ' ' C2 ' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 1 O4'-C1'-N19 111.601 4.751 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.501 ' C2 ' ' C2 ' ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.453 4.566 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.632 ' N6 ' HH22 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.322 0 O4'-C1'-N19 110.835 3.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.617 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.617 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.517 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.604 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.545 3.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.604 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.159 4.198 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.577 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.172 4.215 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.497 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.385 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.453 ' H72' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.861 0 O4'-C1'-N19 110.462 3.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 C3'-C2'-C1' 106.978 3.056 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.504 3.38 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.866 3.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.621 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.952 5.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.476 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.199 1 O4'-C1'-N19 111.688 4.86 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.47 ' OP2' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O4'-C1'-N19 110.778 3.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.508 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.51 3.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.63 3.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.557 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 C3'-C2'-C1' 107.242 3.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.522 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.708 4.885 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.659 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.474 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.659 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.969 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.547 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.648 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.547 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 5' ' ' ARG . 37.9 tt0 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 5' ' ' ARG . 19.1 tptt 63.83 -81.18 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.304 -0.873 . . . . 0.0 109.439 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 58.3 ttt180 54.12 166.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.171 -0.956 . . . . 0.0 109.606 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -139.81 146.59 39.61 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.091 -1.006 . . . . 0.0 109.008 -179.614 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -82.81 -154.69 0.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.438 -0.789 . . . . 0.0 109.707 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -89.81 -12.93 37.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.268 -0.895 . . . . 0.0 109.837 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -103.78 -98.8 0.31 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.338 -0.851 . . . . 0.0 109.661 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.72 11.81 0.62 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 69.6 mtm180 -82.37 -164.4 0.83 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -1.136 . . . . 0.0 108.825 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -134.3 126.72 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.132 -0.98 . . . . 0.0 109.197 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.9 mt -89.31 133.06 34.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 109.174 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.33 157.95 17.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.125 -0.984 . . . . 0.0 109.471 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.0 m -48.25 111.87 0.51 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.95 -51.23 0.77 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -89.24 158.15 17.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.319 -1.106 . . . . 0.0 109.726 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -160.45 -148.88 0.17 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.318 -0.864 . . . . 0.0 109.655 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.562 HE22 ' C ' ' A' ' 24' ' ' ARG . 6.9 tp-100 -154.27 127.69 8.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.319 -0.863 . . . . 0.0 108.87 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.605 ' NH1' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -82.79 -154.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.217 -0.927 . . . . 0.0 109.616 -179.345 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -95.63 -19.43 19.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.308 -0.87 . . . . 0.0 109.691 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.37 3.38 21.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.288 -0.882 . . . . 0.0 110.222 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 86.81 -25.3 7.62 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' C ' HE22 ' A' ' 19' ' ' GLN . 10.1 ptp180 -69.4 156.59 38.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.348 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 69.8 m-85 -74.25 155.65 38.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.068 -1.02 . . . . 0.0 109.413 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 tp -132.97 116.78 16.84 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -117.68 108.45 15.43 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.634 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 ttmp? -101.84 143.66 31.47 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -156.17 135.28 12.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.012 . . . . 0.0 109.933 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.9 mm -70.95 119.71 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.253 -0.904 . . . . 0.0 108.998 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -83.2 173.2 11.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.251 -0.905 . . . . 0.0 110.067 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.9 m -77.95 15.57 0.86 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.415 -0.803 . . . . 0.0 109.548 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -95.44 -31.17 13.5 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.43 29.07 4.07 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -159.01 129.14 3.42 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.085 -1.244 . . . . 0.0 109.815 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -38.89 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.339 2.026 . . . . 0.0 112.997 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.479 ' NE2' ' OP2' ' C' ' 121' ' ' ' DC' . 15.6 tp60 -136.18 122.28 20.27 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.541 -0.724 . . . . 0.0 109.055 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 8.2 m-85 -87.0 139.81 30.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.322 -0.861 . . . . 0.0 111.172 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 t -135.33 112.83 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -100.77 150.42 22.81 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -164.13 153.73 14.21 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -103.72 -29.08 11.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.332 -0.855 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -99.16 120.84 40.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.452 -0.78 . . . . 0.0 109.838 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HB3' HH12 ' A' ' 11' ' ' ARG . 31.5 tp -75.13 -16.26 60.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.58 154.61 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.92 56.39 0.97 Allowed 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.121 -0.987 . . . . 0.0 110.748 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 p -148.59 -26.05 0.32 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.304 -0.873 . . . . 0.0 109.173 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -67.95 -161.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.228 -0.92 . . . . 0.0 109.983 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -129.62 -157.6 0.83 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.382 -0.823 . . . . 0.0 109.031 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 50' ' ' VAL . 30.1 m -153.15 129.06 5.2 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.006 -1.059 . . . . 0.0 109.336 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -41.11 132.06 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.979 1.786 . . . . 0.0 112.503 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.84 137.08 26.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.323 -0.861 . . . . 0.0 109.585 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.84 51.2 Favored Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -87.23 155.76 19.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 109.418 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -80.42 140.89 35.77 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 156.58 39.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.239 -0.913 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.74 158.76 15.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.266 -0.896 . . . . 0.0 108.981 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 62' ' ' GLU . 11.8 pt -72.17 159.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -60.4 159.22 10.53 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.068 -1.053 . . . . 0.0 108.717 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -60.98 -31.56 71.14 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -57.51 -34.27 68.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 58' ' ' ILE . 71.3 mm-40 -76.37 -48.92 18.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 108.402 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -55.73 -40.02 71.9 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.491 ' CD1' HD22 ' A' ' 60' ' ' LEU . 5.6 mt -68.09 -31.02 50.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.89 84.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.842 . . . . 0.0 111.089 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 70' ' ' ASP . 4.9 pt-20 -74.62 -28.29 60.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.79 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.92 -40.17 94.65 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.78 -1.2 . . . . 0.0 108.24 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -82.07 29.07 0.41 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 71' ' ' ILE . 63.3 mttm -158.45 -59.39 0.07 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.603 -0.685 . . . . 0.0 109.367 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 66' ' ' GLU . 7.9 t70 63.41 -4.03 0.34 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.618 -0.676 . . . . 0.0 109.666 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.503 ' H ' ' C ' ' A' ' 69' ' ' LYS . 5.9 mm . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.635 1 O4'-C1'-N19 112.404 5.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.532 ' N1 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.476 3.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.513 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.996 1 O4'-C1'-N19 111.633 4.792 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.601 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.444 0 O4'-C1'-N19 110.619 3.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.601 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.977 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.587 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.649 1 O4'-C1'-N19 111.826 5.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.519 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 111.331 4.414 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.656 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.737 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.656 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.46 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.513 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.927 3.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.474 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.231 1 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.413 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.347 3.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.451 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 C3'-C2'-C1' 106.944 3.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.48 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-N19 110.443 3.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.561 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C1'-N19 110.687 3.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.561 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.842 5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.54 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.241 1 O4'-C1'-N19 111.361 4.452 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.503 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.703 0 C3'-C2'-C1' 107.002 3.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.602 3.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.479 ' OP2' ' NE2' ' A' ' 37' ' ' GLN . . . . . . . . 0 C5'--C4' 1.535 2.951 0 C3'-C2'-C1' 107.266 3.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.523 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.43 4.538 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.665 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.458 0 O4'-C1'-N19 110.621 3.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.665 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.001 1 O4'-C1'-N19 112.033 5.292 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.641 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.581 1 O4'-C1'-N19 111.382 4.477 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.641 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.746 3.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? 58.43 166.3 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.137 -0.977 . . . . 0.0 109.213 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -79.27 147.42 32.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 108.818 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.727 HH11 ' CB ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -133.1 151.44 52.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.435 -0.791 . . . . 0.0 109.572 -179.401 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -83.59 -168.27 2.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.326 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.38 26.08 1.3 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.401 -0.812 . . . . 0.0 109.26 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -134.59 -96.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.459 -0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.71 1.28 0.1 OUTLIER Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 -172.45 4.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.013 -1.286 . . . . 0.0 108.258 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mm -125.86 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.419 -0.801 . . . . 0.0 109.093 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -86.08 133.67 33.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.223 -0.923 . . . . 0.0 108.819 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HZ3' ' HA ' ' A' ' 14' ' ' LYS . 2.0 tptp -89.05 170.86 10.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.18 -0.95 . . . . 0.0 109.428 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.9 m -49.98 149.13 2.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.78 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' H ' ' P ' ' B' ' 103' ' ' ' DG' . . . 86.79 -33.15 3.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -90.73 146.37 24.04 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.119 -1.224 . . . . 0.0 109.981 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p -173.62 155.75 2.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.416 -0.803 . . . . 0.0 109.104 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -98.08 141.25 31.25 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.08 -1.012 . . . . 0.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.474 ' HG2' HH11 ' A' ' 20' ' ' ARG . 12.4 ttt-85 -86.42 164.96 16.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.479 -0.763 . . . . 0.0 109.988 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 13.2 mtpt -54.51 -20.64 8.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.491 -0.756 . . . . 0.0 109.884 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -81.56 -0.52 42.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 0.0 110.117 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.83 -23.79 9.97 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -67.06 158.07 31.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -1.223 . . . . 0.0 109.154 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -77.33 153.76 33.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.376 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 tt -142.56 136.37 29.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 109.461 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.8 113.03 14.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.503 -0.748 . . . . 0.0 109.149 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HZ1' ' CB ' ' A' ' 36' ' ' PRO . 19.0 tttm -100.36 139.37 36.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -156.09 138.17 14.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.896 -1.127 . . . . 0.0 109.958 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.14 124.99 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.558 -0.714 . . . . 0.0 109.598 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -82.45 -169.83 2.64 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 109.595 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -80.14 9.67 5.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.0 109.839 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -99.12 -30.91 12.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 108.708 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.52 11.15 31.76 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -118.88 118.01 33.4 Favored Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.612 -0.934 . . . . 0.0 108.954 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' CB ' ' HZ1' ' A' ' 28' ' ' LYS . 93.7 Cg_exo -41.8 150.01 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.865 1.71 . . . . 0.0 112.641 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -129.34 118.0 21.54 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -84.74 148.88 26.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.341 -0.849 . . . . 0.0 111.24 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.85 130.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.18 150.54 27.1 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.185 -0.947 . . . . 0.0 111.452 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.21 148.05 3.89 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -104.21 -32.62 9.04 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.068 -1.02 . . . . 0.0 109.182 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.53 119.88 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.291 -0.88 . . . . 0.0 109.974 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -69.6 -23.69 63.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.027 -1.046 . . . . 0.0 108.479 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.0 m -143.77 152.13 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.43 65.23 0.43 Allowed 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.119 -0.988 . . . . 0.0 109.814 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 5.4 m -151.47 -33.37 0.15 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.01 -162.84 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.474 -0.767 . . . . 0.0 109.54 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -136.34 -164.14 1.52 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.304 -0.873 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 50' ' ' VAL . 27.8 m -156.18 119.47 2.32 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.412 -0.805 . . . . 0.0 109.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.47 142.84 1.71 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 121.712 1.608 . . . . 0.0 112.43 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.46 162.88 0.7 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.89 -16.39 32.42 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -86.82 158.62 19.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -1.181 . . . . 0.0 109.44 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' HG2' HH11 ' A' ' 55' ' ' ARG . 19.1 mmt-85 -79.13 115.47 18.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 0.0 108.941 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -48.16 144.36 3.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.22 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.82 160.33 28.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.172 -0.955 . . . . 0.0 109.695 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.569 HD12 ' CB ' ' A' ' 62' ' ' GLU . 7.4 pt -72.34 -151.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.3 p -105.22 149.14 26.22 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 64' ' ' ILE . 23.0 tp -48.28 -38.94 20.05 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.507 -0.746 . . . . 0.0 109.432 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -62.88 -32.71 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.82 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.569 ' CB ' HD12 ' A' ' 58' ' ' ILE . 8.5 mm-40 -74.31 -35.31 63.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.596 -1.315 . . . . 0.0 107.848 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HG2' HD11 ' A' ' 58' ' ' ILE . 62.2 mttt -68.94 -60.75 2.15 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.469 HD12 ' HG ' ' A' ' 60' ' ' LEU . 4.5 mt -45.24 -42.24 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.87 69.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.578 -0.701 . . . . 0.0 110.471 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -72.35 -32.06 66.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.028 -1.045 . . . . 0.0 109.513 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.17 -35.69 78.44 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.416 -0.803 . . . . 0.0 109.045 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -81.83 -21.42 37.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.384 -0.822 . . . . 0.0 109.26 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -75.62 -108.71 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.265 -0.897 . . . . 0.0 108.953 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -157.76 -41.79 0.07 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.04 -1.037 . . . . 0.0 109.574 179.4 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.411 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 16.0 tt . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.211 -0.931 . . . . 0.0 109.104 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.72 1 O4'-C1'-N19 111.636 4.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.591 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.437 0 O4'-C1'-N19 110.644 3.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.591 ' P ' ' H ' ' A' ' 16' ' ' GLY . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 111.323 4.403 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.574 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.897 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.574 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.57 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 111.607 4.759 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.57 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.612 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.612 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.12 1 O4'-C1'-N19 111.533 4.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.544 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.968 3.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.543 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.104 1 O4'-C1'-N19 111.307 4.384 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-N19 110.58 3.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.439 0 O4'-C1'-N19 110.406 3.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.531 3.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.443 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.37 0 O4'-C1'-N19 110.833 3.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.546 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 111.987 5.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.546 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.163 1 O4'-C1'-N19 111.539 4.673 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.418 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.661 0 C3'-C2'-C1' 107.079 3.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.59 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.59 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O4'-C1'-N19 110.886 3.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 C3'-C2'-C1' 107.321 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.642 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.294 4.367 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.662 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.727 3.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.662 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.446 4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.626 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.719 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.605 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.525 3.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.559 ' H ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -77.95 -2.45 36.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.162 -0.961 . . . . 0.0 109.445 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.531 HH12 " C3'" ' B' ' 103' ' ' ' DG' . 39.7 ttt180 60.58 146.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.501 -0.75 . . . . 0.0 109.095 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -131.74 171.39 13.55 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.325 -0.859 . . . . 0.0 109.492 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -82.53 -165.94 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.345 -0.847 . . . . 0.0 109.457 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -77.54 -5.47 50.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.137 -0.977 . . . . 0.0 110.072 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -104.34 -101.02 0.31 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 109.387 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.12 11.97 0.19 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -84.4 -170.44 3.1 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.309 -1.112 . . . . 0.0 108.933 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -126.46 100.68 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.428 -0.795 . . . . 0.0 109.935 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' H ' ' CD2' ' A' ' 13' ' ' LEU . 1.4 pt? -85.35 162.97 18.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -89.0 163.18 15.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.688 -1.257 . . . . 0.0 110.556 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.496 ' O ' ' P ' ' B' ' 103' ' ' ' DG' . 63.5 m -48.87 -52.79 22.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.547 -0.72 . . . . 0.0 109.776 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.37 -34.19 3.36 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.8 159.69 19.03 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.442 -1.034 . . . . 0.0 109.729 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -167.49 179.48 4.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.332 -0.855 . . . . 0.0 109.668 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' H ' ' NH2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -134.98 143.5 46.87 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 15.6 ptm180 -109.03 -166.85 1.15 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.416 -0.803 . . . . 0.0 110.738 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.6 mtpm? -64.53 -23.12 67.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.533 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' ARG . 30.3 m-20 -81.09 -0.91 42.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 109.551 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 -13.29 3.63 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' CZ ' ' OP2' ' C' ' 119' ' ' ' DT' . 4.4 ptm180 -70.51 147.3 49.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.327 -1.102 . . . . 0.0 109.951 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -81.09 147.52 30.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.436 -0.79 . . . . 0.0 108.996 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 pp -146.4 135.08 22.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -0.856 . . . . 0.0 108.894 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.626 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 37.5 t80 -102.13 103.97 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -102.19 133.98 46.18 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 29.5 p90 -154.93 152.66 29.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 110.524 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mm -80.78 108.05 13.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -81.46 167.82 18.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.166 -0.959 . . . . 0.0 109.788 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.05 20.97 0.08 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 0.0 109.878 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 31' ' ' ASP . 35.3 m-85 -95.36 -39.85 9.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 108.937 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' OE2' ' A' ' 35' ' ' GLU . . . 125.82 15.31 2.93 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE2' ' N ' ' A' ' 34' ' ' GLY . 2.0 pm0 -160.61 137.74 6.74 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 120.821 -1.399 . . . . 0.0 110.132 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.79 165.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.415 2.077 . . . . 0.0 113.005 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -138.58 125.14 20.69 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -93.92 134.78 35.94 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.934 0.873 . . . . 0.0 112.27 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.7 t -135.41 109.96 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -99.24 169.07 9.63 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.002 -1.061 . . . . 0.0 112.141 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.33 -151.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -149.65 -32.94 0.2 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.847 -1.158 . . . . 0.0 108.441 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 13.2 mtpp -99.53 127.82 45.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.532 -0.73 . . . . 0.0 110.072 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.3 -32.33 66.48 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -139.86 156.78 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' OG ' ' A' ' 59' ' ' SER . . . -70.17 67.74 0.31 Allowed 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.89 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' VAL . 17.6 m -152.12 -35.3 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 10.2 m-20 -67.44 -160.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.655 . . . . 0.0 109.474 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -135.05 -155.72 0.67 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.207 -0.933 . . . . 0.0 109.4 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 50' ' ' VAL . 14.1 m -152.8 122.52 3.35 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.195 -0.941 . . . . 0.0 108.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -44.81 135.52 10.04 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.565 1.51 . . . . 0.0 112.161 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.54 144.5 10.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.416 -0.802 . . . . 0.0 109.67 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.89 -18.2 57.93 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 1.3 mptm? -87.21 161.16 18.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -1.168 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -80.04 134.11 36.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.322 -0.861 . . . . 0.0 109.381 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -63.47 149.91 44.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.12 -0.987 . . . . 0.0 109.259 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.39 164.62 19.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.103 -0.998 . . . . 0.0 109.641 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 62' ' ' GLU . 4.0 pt -72.23 -144.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -111.81 144.78 40.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.459 -0.775 . . . . 0.0 108.987 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 tp -52.26 -12.4 0.25 Allowed 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 59' ' ' SER . 9.2 mmt180 -80.93 -36.28 31.26 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -74.67 -42.93 57.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.197 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -57.3 -43.09 82.9 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.06 -50.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -26.13 38.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.492 -0.755 . . . . 0.0 110.442 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 70' ' ' ASP . 39.1 mm-40 -73.22 -32.22 64.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.081 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.6 -46.87 71.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.129 -0.982 . . . . 0.0 108.821 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -84.9 33.45 0.53 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -161.4 -37.7 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.344 -0.847 . . . . 0.0 110.048 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 66' ' ' GLU . 26.3 t0 -85.86 -45.48 11.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.06 -1.025 . . . . 0.0 109.706 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 N--CA 1.495 1.779 0 O-C-N 121.214 -0.929 . . . . 0.0 109.378 -179.795 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.595 1 O4'-C1'-N19 111.597 4.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.53 ' N1 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.888 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.531 " C3'" HH12 ' A' ' 5' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.403 4.504 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.596 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.739 3.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.608 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.998 3.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.608 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.771 1 O4'-C1'-N19 111.837 5.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.692 1 O4'-C1'-N19 111.391 4.489 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.606 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.606 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.166 4.208 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.586 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.947 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.586 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.129 1 O4'-C1'-N19 111.619 4.773 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.475 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.71 3.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.461 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.48 3.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.519 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.523 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.824 3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.547 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.999 1 O4'-C1'-N19 111.85 5.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.665 " H2'" ' H72' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.575 4.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.665 ' H72' " H2'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.095 0 C3'-C2'-C1' 106.969 3.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.494 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.49 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.701 3.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.54 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.49 4.613 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.702 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.441 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.702 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.562 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.597 4.746 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 0 O4'-C1'-N19 110.289 3.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' H ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -80.84 -166.71 1.17 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.962 . . . . 0.0 109.015 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -79.33 161.02 26.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.097 -1.002 . . . . 0.0 109.481 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 10' ' ' GLY . 12.3 mtm180 -135.03 167.54 20.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.533 -0.729 . . . . 0.0 109.197 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 5.5 p-10 -84.19 -147.09 0.09 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 110.573 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.574 ' OD1' ' NE2' ' A' ' 19' ' ' GLN . 88.9 m-20 -89.98 -12.9 37.32 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.71 -0.619 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.607 ' H ' ' CG ' ' A' ' 7' ' ' ASP . 21.6 mmt180 -104.92 -96.99 0.33 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.395 -0.815 . . . . 0.0 109.553 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.525 ' O ' ' NH1' ' A' ' 6' ' ' ARG . . . -157.4 13.49 0.29 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HE ' HD23 ' A' ' 44' ' ' LEU . 1.3 ptm180 -84.34 168.67 15.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.154 -1.203 . . . . 0.0 109.278 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mm -102.68 124.86 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.19 -0.944 . . . . 0.0 109.887 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 mt -88.64 140.13 29.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 108.42 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -88.93 156.36 18.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.122 -0.987 . . . . 0.0 109.067 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -51.92 123.77 11.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.133 -0.979 . . . . 0.0 109.068 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' OP2' ' B' ' 103' ' ' ' DG' . . . 111.81 -27.63 10.2 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -91.01 158.0 16.94 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.354 -1.086 . . . . 0.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p -176.9 -164.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.574 ' NE2' ' OD1' ' A' ' 8' ' ' ASN . 17.2 pt20 -142.69 128.02 18.82 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.222 -0.923 . . . . 0.0 109.371 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HE ' ' H ' ' A' ' 21' ' ' LYS . 12.0 ttp180 -69.45 -149.5 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 109.443 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' H ' ' HE ' ' A' ' 20' ' ' ARG . 2.8 mtpm? -91.31 -22.02 20.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.318 -0.864 . . . . 0.0 109.825 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.49 -1.24 45.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.215 -0.928 . . . . 0.0 109.943 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.33 -14.64 57.25 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.524 HH22 ' P ' ' C' ' 118' ' ' ' DT' . 8.9 ptp180 -67.79 143.16 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -1.19 . . . . 0.0 109.251 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -75.22 153.02 38.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.152 -0.967 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.679 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -145.9 135.45 23.17 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.099 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.84 110.38 18.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.534 -0.729 . . . . 0.0 109.26 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -93.42 140.25 29.78 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -154.39 137.73 15.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 109.513 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -77.36 125.47 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.0 109.262 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -81.79 -166.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.918 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 p -79.72 -0.96 36.39 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.393 -0.817 . . . . 0.0 110.029 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -93.54 -30.15 15.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.263 -0.898 . . . . 0.0 109.117 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.71 35.14 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -109.29 115.23 56.76 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.648 -0.913 . . . . 0.0 109.551 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -43.49 135.41 6.61 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.944 1.762 . . . . 0.0 112.366 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -116.55 133.42 56.03 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.578 -0.701 . . . . 0.0 109.118 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.28 147.89 23.31 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 122.035 0.921 . . . . 0.0 111.03 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.95 110.81 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.76 160.63 14.14 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.022 -1.049 . . . . 0.0 111.537 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.8 p -174.54 159.7 2.99 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -101.0 -36.35 9.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.073 -1.017 . . . . 0.0 109.769 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -92.1 145.6 24.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.078 -1.013 . . . . 0.0 110.419 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.581 HD23 ' HE ' ' A' ' 11' ' ' ARG . 28.3 tp -86.07 -25.27 25.95 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.6 m -145.8 150.13 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.67 66.71 0.74 Allowed 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.835 -1.165 . . . . 0.0 110.211 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.9 m -149.54 -32.46 0.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -65.79 -148.76 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -140.58 -163.05 1.45 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.016 -1.053 . . . . 0.0 109.542 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 50' ' ' VAL . 27.6 m -156.15 123.08 2.67 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.424 -0.798 . . . . 0.0 109.141 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.86 137.34 4.35 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.806 1.67 . . . . 0.0 112.321 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.38 8.14 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.329 -0.857 . . . . 0.0 109.53 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.91 -16.95 57.24 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 4.0 mptt -87.25 151.56 23.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -1.126 . . . . 0.0 108.995 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.42 126.23 30.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.139 -0.976 . . . . 0.0 108.451 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -56.56 145.1 29.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.383 -0.823 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.93 158.52 40.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 62' ' ' GLU . 8.8 pt -73.57 168.85 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.22 155.07 41.01 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.974 -1.079 . . . . 0.0 108.441 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.45 -37.05 67.23 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.409 -0.917 . . . . 0.0 108.76 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -56.8 -31.08 64.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -179.396 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.596 ' HB3' HD12 ' A' ' 58' ' ' ILE . 43.8 mt-10 -74.77 -42.84 57.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.52 -1.363 . . . . 0.0 108.106 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ILE . 47.1 mttm -63.15 -63.52 1.17 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 60' ' ' LEU . 15.0 mt -38.61 -45.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 CA-C-O 121.314 0.578 . . . . 0.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.06 71.83 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.46 -28.56 61.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.806 -1.183 . . . . 0.0 109.564 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -35.68 80.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 109.06 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 64' ' ' ILE . 12.1 mp0 -79.81 -49.53 11.86 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -76.53 -109.02 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.31 -0.869 . . . . 0.0 108.872 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -158.9 -104.87 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.813 . . . . 0.0 109.15 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.924 1 O4'-C1'-N19 111.892 5.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.536 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.748 0 O4'-C1'-N19 110.69 3.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.536 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.552 4.69 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.582 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.389 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.582 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.009 4.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.569 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.09 4.112 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.569 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.494 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.654 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.654 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.13 4.163 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.453 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.409 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.521 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 C3'-C2'-C1' 107.023 3.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.431 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.431 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.853 3.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.742 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.894 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.742 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.402 1 O4'-C1'-N19 112.276 5.595 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.524 ' P ' HH22 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.686 0 C3'-C2'-C1' 107.084 3.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.587 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.757 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.587 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.509 H2'' " O5'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.697 0 C3'-C2'-C1' 107.167 3.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.563 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 111.721 4.901 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.631 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.693 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.631 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.834 1 O4'-C1'-N19 111.815 5.019 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.613 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.546 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.18 135.32 6.08 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.924 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -80.67 130.34 35.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 5.0 tpp180 -104.65 158.14 16.7 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.41 -0.806 . . . . 0.0 109.495 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -82.11 -157.82 0.22 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -0.921 . . . . 0.0 109.536 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -90.94 -8.73 48.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -105.23 -95.31 0.34 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.81 12.53 0.38 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' ' CD ' ' A' ' 6' ' ' ARG . 66.5 mtm180 -83.88 -162.86 0.69 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -1.127 . . . . 0.0 109.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -134.9 123.23 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.271 -0.893 . . . . 0.0 109.266 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD11 HE22 ' A' ' 19' ' ' GLN . 79.0 mt -88.61 148.99 23.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -0.929 . . . . 0.0 108.846 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.75 169.54 11.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.09 -1.006 . . . . 0.0 109.181 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.413 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 6.8 m -62.31 105.63 0.64 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.86 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.78 -39.06 1.61 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' A' ' 17' ' ' GLU . 1.8 mp0 -89.36 144.28 26.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.238 -1.154 . . . . 0.0 110.254 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -160.33 -167.74 1.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.591 HE22 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -143.05 149.53 38.35 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.071 -1.018 . . . . 0.0 109.658 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -93.1 -151.15 0.29 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.881 . . . . 0.0 109.439 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -80.79 -21.38 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.301 -0.874 . . . . 0.0 109.669 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -80.59 -1.44 42.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.65 -15.56 13.69 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 120.069 -1.062 . . . . 0.0 110.484 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.53 160.79 26.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.863 -1.375 . . . . 0.0 108.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -82.99 153.32 25.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -0.905 . . . . 0.0 110.544 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -140.96 115.43 9.45 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CE2' ' CD2' ' A' ' 29' ' ' TYR . 31.3 t80 -104.0 101.73 11.5 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' NZ ' ' O6 ' ' B' ' 103' ' ' ' DG' . 26.5 tttt -95.46 133.4 39.47 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 20.7 p90 -155.48 137.68 14.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.898 -1.126 . . . . 0.0 109.963 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.9 mm -79.34 121.13 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.524 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -79.58 179.41 7.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.0 109.848 -179.365 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -68.56 8.63 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 31' ' ' ASP . 15.6 m-85 -99.87 -27.86 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.24 -0.32 54.16 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.28 116.05 61.98 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.467 -1.02 . . . . 0.0 109.408 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -43.1 157.98 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.764 1.643 . . . . 0.0 112.42 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -135.33 136.9 41.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.513 -0.742 . . . . 0.0 109.008 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -107.27 133.87 51.19 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.373 -0.829 . . . . 0.0 111.245 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.87 120.61 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -100.99 163.46 12.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.167 -0.958 . . . . 0.0 110.857 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.94 138.34 0.12 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -88.22 -36.57 16.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.022 -1.049 . . . . 0.0 108.369 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -92.89 135.44 34.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.709 -0.62 . . . . 0.0 109.72 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.408 HD23 ' NH1' ' A' ' 11' ' ' ARG . 45.9 tp -85.0 -25.19 27.87 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.082 -1.011 . . . . 0.0 108.598 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 47' ' ' THR . 2.0 m -142.11 148.91 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.59 63.06 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.228 -0.92 . . . . 0.0 110.684 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 ' CG2' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.78 -31.5 0.16 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.386 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.99 -162.41 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.752 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -139.08 -160.1 1.03 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.279 -0.888 . . . . 0.0 109.224 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 50' ' ' VAL . 35.3 m -154.08 131.13 5.93 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -38.15 131.42 0.93 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.904 1.736 . . . . 0.0 112.284 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.29 145.83 4.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.614 -0.679 . . . . 0.0 109.765 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 -23.5 33.69 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.54 157.08 19.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.058 -1.26 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -78.28 137.46 38.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.349 -0.844 . . . . 0.0 109.732 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.45 160.93 29.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.239 -0.913 . . . . 0.0 109.11 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 155.69 16.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 108.983 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.689 HD12 ' HB3' ' A' ' 62' ' ' GLU . 12.8 pt -70.93 141.98 16.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -51.61 153.0 2.49 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.53 -179.176 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 64' ' ' ILE . 3.0 tt -49.36 -42.52 42.25 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.929 -0.482 . . . . 0.0 110.022 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -52.0 -30.19 24.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 110.482 -179.147 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.689 ' HB3' HD12 ' A' ' 58' ' ' ILE . 12.6 mm-40 -75.29 -38.11 60.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.548 -1.345 . . . . 0.0 108.565 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HG2' HD11 ' A' ' 58' ' ' ILE . 76.7 mttt -69.96 -41.84 73.97 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 60' ' ' LEU . 1.3 mt -63.15 -45.39 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.9 -27.43 42.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.48 -0.763 . . . . 0.0 110.106 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -73.1 -34.82 66.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.93 -1.107 . . . . 0.0 108.495 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 69' ' ' LYS . 14.5 mt -68.98 -42.56 76.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.207 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -80.89 20.99 0.72 Allowed 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 70' ' ' ASP . 2.2 tmtm? -158.72 -101.16 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.518 ' N ' ' CD ' ' A' ' 69' ' ' LYS . 60.0 t0 -159.28 -117.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.498 -1.376 . . . . 0.0 109.264 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.2 pt . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.261 -0.899 . . . . 0.0 109.198 179.724 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 111.932 5.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.601 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.003 0 O4'-C1'-N19 110.555 3.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.601 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.654 1 O4'-C1'-N19 111.535 4.668 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.574 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 O4'-C1'-N19 110.82 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 111.469 4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.621 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.024 1 O4'-C1'-N19 111.683 4.853 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.496 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.581 1 O4'-C1'-N19 111.24 4.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.625 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 0 O4'-C1'-N19 110.708 3.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.625 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.272 4.34 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.508 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.824 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.508 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.075 1 O4'-C1'-N19 111.428 4.534 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.402 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.648 3.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.313 3.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.618 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.618 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.056 1 O4'-C1'-N19 111.672 4.84 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.609 " H2'" ' H72' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.329 1 O4'-C1'-N19 112.135 5.418 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.609 ' H72' " H2'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.369 0 O4'-C1'-N19 110.321 3.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.655 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.655 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.694 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.503 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.41 3.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.634 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.656 4.819 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.645 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.645 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.931 5.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.491 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.491 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -64.57 158.98 22.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.273 -0.892 . . . . 0.0 109.139 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -81.82 150.48 27.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.318 -0.864 . . . . 0.0 109.274 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -113.22 168.88 9.35 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.492 -0.755 . . . . 0.0 109.68 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 9' ' ' ARG . 42.5 p-10 -82.99 -166.37 1.32 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 109.709 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.463 ' HB3' HE22 ' A' ' 19' ' ' GLN . 43.5 p-10 -73.54 17.1 0.16 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 109.673 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 7' ' ' ASP . 3.6 mmp_? -133.99 -101.62 0.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.345 -0.847 . . . . 0.0 109.305 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.26 11.45 0.89 Allowed Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' CB ' ' A' ' 44' ' ' LEU . 5.7 mtp180 -83.6 161.98 20.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -1.064 . . . . 0.0 109.14 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.66 120.16 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.303 -0.873 . . . . 0.0 110.238 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.22 142.1 28.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.291 -0.88 . . . . 0.0 108.67 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -89.44 151.77 21.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.471 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -48.61 104.79 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.132 -0.98 . . . . 0.0 109.457 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.99 -44.9 0.83 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -90.91 152.43 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.428 -1.043 . . . . 0.0 109.436 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -160.73 -164.83 1.27 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.889 . . . . 0.0 109.532 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.463 HE22 ' HB3' ' A' ' 8' ' ' ASN . 23.6 tt0 -147.44 126.35 12.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.274 -0.891 . . . . 0.0 109.442 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.04 -163.71 0.52 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.305 -0.872 . . . . 0.0 109.98 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -78.74 -18.11 54.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.545 -0.722 . . . . 0.0 109.792 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 9.6 m-20 -80.35 -6.65 58.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.15 -0.969 . . . . 0.0 109.919 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.44 -23.2 23.27 Favored Glycine 0 N--CA 1.496 2.653 0 C-N-CA 120.139 -1.029 . . . . 0.0 110.799 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NH1' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -67.93 153.7 43.17 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.753 -1.439 . . . . 0.0 108.879 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -79.47 159.02 27.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.306 -0.871 . . . . 0.0 109.495 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -142.47 118.28 10.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.441 -0.787 . . . . 0.0 109.033 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 48.2 t80 -104.51 103.92 13.69 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -99.41 134.13 42.72 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 43.3 p90 -156.83 148.09 22.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.98 -1.075 . . . . 0.0 110.341 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.65 116.37 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 33' ' ' PHE . 10.1 p30 -79.86 173.81 12.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.199 -0.938 . . . . 0.0 109.644 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.1 m -68.63 13.62 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.307 -0.871 . . . . 0.0 110.114 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.7 m-85 -98.87 -31.68 11.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 0.0 108.813 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.05 26.62 6.94 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -143.56 118.79 6.28 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.502 -0.999 . . . . 0.0 108.684 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -42.35 154.61 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.81 1.673 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.1 tt0 -130.49 135.0 47.52 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -100.88 134.84 43.26 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.69 0.757 . . . . 0.0 111.247 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.4 t -136.98 115.84 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -102.2 160.71 14.29 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.202 -0.936 . . . . 0.0 111.45 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -170.38 160.8 7.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 77.7 m95 -106.52 -29.63 9.55 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.116 -0.99 . . . . 0.0 108.746 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -101.34 138.46 38.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.52 -0.737 . . . . 0.0 110.04 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CB ' ' NH2' ' A' ' 11' ' ' ARG . 34.0 tp -84.7 -23.72 29.25 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -145.03 157.33 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 61.35 0.92 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.055 -1.028 . . . . 0.0 111.003 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 p -147.04 -33.39 0.29 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -67.79 -169.12 0.11 Allowed 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.447 -0.783 . . . . 0.0 108.933 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.3 -160.63 1.08 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.197 -0.939 . . . . 0.0 109.303 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 50' ' ' VAL . 23.9 m -153.5 134.54 8.35 Favored Pre-proline 0 N--CA 1.496 1.825 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -37.51 148.9 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.843 1.696 . . . . 0.0 112.926 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.1 127.1 29.72 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.949 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.14 -5.02 41.56 Favored Glycine 0 N--CA 1.501 3.027 0 O-C-N 121.216 -0.928 . . . . 0.0 110.788 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.617 ' NZ ' ' CE2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -85.92 164.06 17.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.852 -1.381 . . . . 0.0 108.874 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -79.12 112.78 16.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.003 -1.06 . . . . 0.0 108.388 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.52 159.13 6.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 0.0 110.296 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.72 164.27 8.05 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.575 HD12 ' CB ' ' A' ' 62' ' ' GLU . 8.7 pt -70.63 -163.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 p -96.77 156.02 16.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.04 -39.94 60.35 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -60.12 -31.3 69.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.87 . . . . 0.0 110.322 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.575 ' CB ' HD12 ' A' ' 58' ' ' ILE . 30.1 mt-10 -75.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.478 -1.389 . . . . 0.0 108.318 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HG2' HD11 ' A' ' 58' ' ' ILE . 63.8 mttt -66.23 -52.52 46.94 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mt -52.04 -40.38 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.61 -35.29 63.25 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.64 -34.48 67.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.015 -1.053 . . . . 0.0 109.25 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 18.5 mt -69.95 -21.75 63.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.51 -0.744 . . . . 0.0 109.159 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -81.42 7.69 11.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.433 -0.792 . . . . 0.0 109.116 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -163.4 -95.57 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.396 -0.815 . . . . 0.0 109.157 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -154.1 -89.82 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.119 -0.988 . . . . 0.0 109.34 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.481 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 10.9 mt . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.263 -0.898 . . . . 0.0 109.177 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.627 1 O4'-C1'-N19 112.423 5.778 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.461 ' N1 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.683 3.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.459 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.066 1 O4'-C1'-N19 111.602 4.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.571 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.284 0 O4'-C1'-N19 110.697 3.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.61 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.991 3.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.61 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.725 4.906 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.487 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.594 1 O4'-C1'-N19 111.188 4.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.61 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.61 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.633 0 O4'-C1'-N19 110.969 3.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.633 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.633 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.139 1 O4'-C1'-N19 111.423 4.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.457 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.429 3.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.632 3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.615 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.615 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.166 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.536 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.275 1 O4'-C1'-N19 111.753 4.941 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.619 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.366 3.207 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.619 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.21 4.262 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.589 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.56 3.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.402 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.454 3.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.604 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.671 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.671 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.532 4.665 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.595 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.609 1 O4'-C1'-N19 111.419 4.524 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.593 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.757 3.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.44 173.13 11.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.179 -0.951 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -85.36 -154.99 0.21 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.415 -0.803 . . . . 0.0 109.572 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HG2' HD13 ' A' ' 12' ' ' ILE . 12.0 mtt180 -128.7 173.84 9.96 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 25.6 p-10 -82.72 -155.5 0.16 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.116 -0.99 . . . . 0.0 109.655 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -77.69 -6.3 53.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.378 -0.826 . . . . 0.0 109.495 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -107.29 -110.87 0.3 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.404 -0.81 . . . . 0.0 109.09 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.12 7.55 1.19 Allowed Glycine 0 N--CA 1.497 2.726 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.593 ' NH2' HD23 ' A' ' 44' ' ' LEU . 11.7 ptm180 -86.42 151.07 23.84 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.638 -0.919 . . . . 0.0 109.604 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 ' HG2' ' A' ' 6' ' ' ARG . 5.5 mm -87.32 135.62 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.268 -0.895 . . . . 0.0 110.767 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.96 166.26 13.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -90.08 149.53 22.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.969 -1.082 . . . . 0.0 108.795 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -45.33 150.7 0.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.044 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' N ' ' OP2' ' B' ' 103' ' ' ' DG' . . . 88.01 -36.22 3.42 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -88.22 156.45 19.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.251 -1.147 . . . . 0.0 110.239 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 p -173.01 -164.14 0.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -141.13 138.32 33.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.114 -0.991 . . . . 0.0 108.928 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.636 HH12 ' N6 ' ' C' ' 120' ' ' ' DA' . 13.8 ttp180 -77.99 -151.08 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.949 . . . . 0.0 109.787 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -89.72 -20.66 23.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.444 -0.785 . . . . 0.0 109.834 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 20' ' ' ARG . 4.4 m-20 -80.55 3.54 21.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 110.173 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.42 -16.5 18.01 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' NH1' ' H71' ' C' ' 119' ' ' ' DT' . 9.9 ptp180 -68.46 156.22 38.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -1.196 . . . . 0.0 109.14 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -77.23 152.75 34.57 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 tp -141.58 130.73 23.39 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.4 t80 -131.99 95.14 3.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.576 -0.702 . . . . 0.0 109.124 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -101.48 140.2 36.1 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 55.6 p90 -153.45 152.38 30.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.852 -1.155 . . . . 0.0 110.315 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mm -77.76 119.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 10.2 p-10 -80.25 38.06 0.4 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.201 -0.937 . . . . 0.0 110.24 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 57.3 3.69 0.17 Allowed 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.728 -0.608 . . . . 0.0 110.502 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.438 ' H ' ' C ' ' A' ' 31' ' ' ASP . 14.8 m-85 -97.1 -29.82 13.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.111 -0.993 . . . . 0.0 108.725 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.86 32.8 1.98 Allowed Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -157.55 109.76 1.83 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.392 -1.064 . . . . 0.0 108.812 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -42.73 158.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.091 1.861 . . . . 0.0 113.005 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -130.15 98.54 4.77 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 4.7 m-85 -72.17 142.86 49.07 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.989 0.9 . . . . 0.0 112.026 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.19 119.71 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -103.16 142.27 34.43 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.052 -1.03 . . . . 0.0 111.308 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -163.39 162.11 24.73 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -109.5 -35.57 6.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.108 -0.995 . . . . 0.0 108.666 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.7 mtmt -96.37 127.92 42.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 110.105 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.593 HD23 ' NH2' ' A' ' 11' ' ' ARG . 43.7 tp -74.99 -17.23 60.56 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -145.1 153.03 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' ' 59' ' ' SER . . . -76.32 63.56 1.96 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.182 -0.949 . . . . 0.0 109.492 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -150.3 -34.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -163.28 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.429 -0.794 . . . . 0.0 109.3 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -128.72 -161.12 1.08 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.363 -0.836 . . . . 0.0 109.483 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 50' ' ' VAL . 29.7 m -156.86 121.75 2.38 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.449 -0.782 . . . . 0.0 109.222 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -43.53 143.47 2.55 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.842 1.694 . . . . 0.0 112.507 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.18 154.79 7.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.472 -0.767 . . . . 0.0 109.682 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.06 -15.29 56.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.2 mptt -87.47 153.08 21.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.115 -1.226 . . . . 0.0 109.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' NH1' " O3'" ' B' ' 112' ' ' ' DT' . 11.9 tpt180 -80.7 146.54 31.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 108.735 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -75.69 158.9 31.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.17 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -175.27 153.93 1.64 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 62' ' ' GLU . 5.7 pt -72.37 153.82 7.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 O-C-N 120.808 -1.183 . . . . 0.0 108.064 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.431 ' HB3' ' N ' ' A' ' 46' ' ' ALA . 8.7 p -48.15 170.16 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.186 -0.946 . . . . 0.0 110.096 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.569 ' HG ' HD12 ' A' ' 64' ' ' ILE . 18.9 tp -68.6 -42.94 77.44 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.33 -0.856 . . . . 0.0 109.704 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 58' ' ' ILE . 10.2 mm-40 -76.7 -41.91 43.52 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 120.644 -1.285 . . . . 0.0 107.814 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -66.33 -62.33 1.53 Allowed 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.569 HD12 ' HG ' ' A' ' 60' ' ' LEU . 2.4 mt -42.49 -42.73 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.18 -40.19 67.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.21 -0.931 . . . . 0.0 110.321 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -73.95 -35.63 64.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.941 -1.1 . . . . 0.0 109.512 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 69' ' ' LYS . 14.8 mt -67.4 -30.0 69.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -79.75 27.8 0.28 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.197 -0.94 . . . . 0.0 108.532 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 67' ' ' LEU . 37.2 mttp -155.75 -113.4 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -158.26 -45.72 0.06 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.199 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.2 tp . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.463 1 O4'-C1'-N19 112.308 5.635 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.67 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.878 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.67 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.32 4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.554 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.041 0 O4'-C1'-N19 110.563 3.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.08 4.1 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.544 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.544 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.261 4.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.592 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.822 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.592 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.506 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.506 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.055 1 O4'-C1'-N19 111.415 4.518 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.432 " O3'" ' NH1' ' A' ' 55' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.677 0 C3'-C2'-C1' 106.972 3.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.501 0 C3'-C2'-C1' 106.987 3.062 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.482 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.62 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 1 O4'-C1'-N19 111.81 5.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.62 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.124 1 O4'-C1'-N19 112.535 5.919 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.585 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.442 3.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.585 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.636 ' N6 ' HH12 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.48 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.671 0 O4'-C1'-N19 110.453 3.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.74 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.688 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.521 3.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.688 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.465 4.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.598 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.359 4.449 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.598 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HG3' HD12 ' A' ' 12' ' ' ILE . 21.6 tptt -67.8 -65.32 0.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.289 -0.882 . . . . 0.0 109.043 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 4' ' ' LYS . 36.9 ttm180 58.5 150.06 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.349 0.595 . . . . 0.0 110.012 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -135.09 160.55 37.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.445 -0.784 . . . . 0.0 109.692 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 15.1 p-10 -81.76 176.45 9.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.315 -0.866 . . . . 0.0 109.396 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.484 ' ND2' ' OE1' ' A' ' 19' ' ' GLN . 58.7 m-20 -73.65 33.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.208 -0.932 . . . . 0.0 109.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 7' ' ' ASP . 6.6 mmt180 -135.3 -56.92 0.8 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.397 -0.814 . . . . 0.0 109.291 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.51 -0.15 0.18 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -81.47 -164.84 0.83 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.288 . . . . 0.0 109.391 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.474 HD12 ' HG3' ' A' ' 4' ' ' LYS . 5.8 mm -126.06 121.75 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.447 -0.783 . . . . 0.0 109.742 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 mt -90.39 139.52 30.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.16 -0.963 . . . . 0.0 108.867 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' THR . 11.8 mmtp -89.06 164.86 14.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.107 -0.996 . . . . 0.0 108.935 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 17' ' ' GLU . 2.7 t -48.83 172.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.983 -1.073 . . . . 0.0 108.87 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.76 -42.2 0.34 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 15' ' ' THR . 52.3 mt-10 -91.18 148.65 22.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -1.148 . . . . 0.0 109.778 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -165.36 -138.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.847 . . . . 0.0 109.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.484 ' OE1' ' ND2' ' A' ' 8' ' ' ASN . 3.4 tt0 -157.76 132.54 8.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.0 109.695 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.541 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 7.2 ttp180 -75.6 -152.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.828 0.823 . . . . 0.0 110.453 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.6 mtpm? -95.56 -25.06 16.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.772 -0.58 . . . . 0.0 109.916 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' OD2' ' NH2' ' A' ' 20' ' ' ARG . 70.8 m-20 -82.6 10.98 6.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.197 -0.939 . . . . 0.0 109.904 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 82.27 -18.06 15.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.596 ' NH1' ' H71' ' C' ' 119' ' ' ' DT' . 11.4 ptp180 -67.36 155.67 38.36 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.96 -1.318 . . . . 0.0 109.018 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -73.99 145.14 44.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.034 -1.041 . . . . 0.0 109.77 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -124.9 124.97 43.2 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 38.9 t80 -115.39 97.04 5.94 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -95.01 127.86 41.4 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 21.4 p90 -155.86 153.0 29.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 110.205 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mm -91.94 123.27 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.527 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -79.39 169.78 17.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.032 -1.043 . . . . 0.0 109.976 -179.348 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -65.57 8.37 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.539 -0.726 . . . . 0.0 110.159 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.6 m-85 -98.08 -29.2 13.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.105 -0.997 . . . . 0.0 108.804 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 28.43 6.75 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -137.0 114.39 9.95 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -43.62 137.37 6.09 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.731 1.621 . . . . 0.0 112.267 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.527 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 7.5 tt0 -121.8 134.37 54.91 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.576 -0.703 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.84 135.55 43.2 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.567 0.698 . . . . 0.0 110.903 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.58 112.07 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -101.43 153.44 19.68 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.197 -0.94 . . . . 0.0 111.362 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.34 169.27 14.24 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -113.87 -36.83 4.69 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.191 -0.943 . . . . 0.0 109.72 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -91.63 120.08 32.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.31 -33.38 75.83 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -137.84 157.14 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 66.14 0.35 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.771 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 9.2 m -152.43 -30.95 0.15 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -163.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.471 -0.768 . . . . 0.0 109.559 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -130.77 -172.07 2.72 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.483 -0.76 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 50' ' ' VAL . 28.3 m -156.61 134.18 6.88 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.289 -0.882 . . . . 0.0 109.563 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -40.01 133.73 1.88 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.827 1.684 . . . . 0.0 112.025 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -32.13 64.78 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.205 -0.935 . . . . 0.0 110.652 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.9 -7.73 86.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 54' ' ' LYS . 3.9 mptt -92.09 162.44 14.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.076 -1.25 . . . . 0.0 109.282 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -79.29 117.07 19.94 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.435 -0.79 . . . . 0.0 109.86 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -54.9 151.16 9.01 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.247 -0.908 . . . . 0.0 108.949 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.05 167.4 18.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.144 -0.973 . . . . 0.0 109.358 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.59 HD11 ' HG2' ' A' ' 63' ' ' LYS . 10.0 pt -70.87 -162.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.8 p -100.25 145.13 28.46 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 27' ' ' TYR . 17.3 tp -45.89 -38.15 7.11 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -59.3 -30.86 68.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' CB ' HD12 ' A' ' 58' ' ' ILE . 61.1 mm-40 -77.36 -40.72 42.93 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.131 . . . . 0.0 108.556 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HG2' HD11 ' A' ' 58' ' ' ILE . 75.6 mttt -64.78 -40.62 95.55 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mt -61.21 -45.71 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.52 -26.81 55.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 110.282 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.97 -36.96 67.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.972 -1.08 . . . . 0.0 109.287 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.31 -27.19 65.16 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.433 -0.792 . . . . 0.0 109.371 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -83.16 -32.41 26.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.456 -0.778 . . . . 0.0 110.325 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -77.49 -121.97 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.727 -1.233 . . . . 0.0 109.613 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -161.41 83.23 0.62 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.464 -0.772 . . . . 0.0 109.803 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 mm . . . . . 0 N--CA 1.495 1.801 0 O-C-N 120.943 -1.098 . . . . 0.0 109.419 179.755 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.694 4.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.568 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.824 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.568 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.532 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.444 0 O4'-C1'-N19 110.699 3.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.869 3.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.593 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.618 1 O4'-C1'-N19 111.642 4.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.531 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.305 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.642 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.631 3.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.642 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.332 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.559 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.559 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.226 1 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.431 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.421 3.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.331 3.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.639 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.54 3.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.639 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.569 1 O4'-C1'-N19 111.069 4.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.653 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.653 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.57 4.712 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.576 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.539 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.596 ' H71' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.717 0 C3'-C2'-C1' 107.318 3.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.54 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.64 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.443 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.64 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.832 5.041 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.571 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.266 4.332 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.571 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' NZ ' HG21 ' A' ' 12' ' ' ILE . 8.0 tptp -83.79 103.09 12.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.06 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -80.64 162.44 24.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.165 -0.959 . . . . 0.0 109.533 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.695 HH11 ' CB ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -126.6 153.53 45.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.513 -0.742 . . . . 0.0 109.376 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 24.1 p-10 -82.41 -171.28 3.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.299 -0.875 . . . . 0.0 109.323 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -85.73 15.38 4.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.556 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.03 -88.04 0.55 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.527 -0.733 . . . . 0.0 109.45 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.18 -2.26 0.06 OUTLIER Glycine 0 N--CA 1.493 2.456 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -170.26 2.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.82 -1.4 . . . . 0.0 108.275 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 HG21 ' NZ ' ' A' ' 4' ' ' LYS . 4.3 mm -129.62 130.1 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.324 -0.86 . . . . 0.0 109.362 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.41 141.27 28.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 109.303 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -89.21 175.61 7.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.139 -0.976 . . . . 0.0 108.685 179.774 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -67.54 57.28 0.06 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.071 -1.018 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -169.26 -34.86 0.02 OUTLIER Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 18' ' ' SER . 49.3 mt-10 -90.73 150.86 21.46 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.379 -1.071 . . . . 0.0 110.102 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 6.0 m -166.99 -154.76 0.17 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.1 pm0 -155.31 155.58 33.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.982 -1.074 . . . . 0.0 110.081 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.654 HH12 ' N6 ' ' B' ' 105' ' ' ' DA' . 2.5 mmp_? -90.87 -162.87 0.95 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.423 -0.798 . . . . 0.0 109.699 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -76.11 -21.12 57.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.571 -0.706 . . . . 0.0 109.764 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.03 -1.46 44.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.256 -0.903 . . . . 0.0 109.915 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.11 -9.98 64.79 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.41 157.12 34.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -1.199 . . . . 0.0 108.544 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -79.88 153.28 29.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.055 -1.028 . . . . 0.0 109.928 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -141.87 115.45 9.05 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -107.94 106.56 16.87 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 tttp -96.91 139.49 32.86 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -154.14 129.8 10.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.95 -1.094 . . . . 0.0 109.76 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.81 117.58 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.527 -0.733 . . . . 0.0 109.114 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 33' ' ' PHE . 8.2 p30 -80.14 171.39 15.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 t -66.7 11.11 0.1 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.419 -0.8 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 31' ' ' ASP . 32.3 m-85 -98.7 -29.51 12.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.768 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.35 30.39 5.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.82 116.97 5.36 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.415 -1.05 . . . . 0.0 109.127 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -42.33 137.81 3.46 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.87 1.713 . . . . 0.0 112.515 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -113.71 142.63 45.79 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.54 -0.725 . . . . 0.0 109.147 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 11.5 m-85 -101.22 134.22 44.6 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.283 -0.886 . . . . 0.0 111.267 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -133.12 118.79 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -102.57 162.47 12.9 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.088 -1.007 . . . . 0.0 111.94 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -177.54 154.06 0.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -106.99 -30.18 8.99 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.17 -0.956 . . . . 0.0 108.661 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -96.24 118.7 33.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.478 -0.764 . . . . 0.0 110.022 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.61 -22.74 66.7 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.13 158.41 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.207 -0.933 . . . . 0.0 108.762 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.6 60.56 2.17 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.383 -0.823 . . . . 0.0 111.01 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -144.99 -38.95 0.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -163.48 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -141.07 162.49 35.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.045 -1.035 . . . . 0.0 109.169 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 50' ' ' VAL . 27.8 m -83.66 130.3 56.31 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.662 -0.649 . . . . 0.0 109.441 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.26 138.39 1.26 Allowed 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.813 1.675 . . . . 0.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.98 137.46 21.17 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.247 -0.908 . . . . 0.0 109.503 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.25 -22.08 42.72 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.5 mptt -88.45 161.65 16.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.253 -1.145 . . . . 0.0 109.151 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.527 ' HG2' HH11 ' A' ' 55' ' ' ARG . 2.9 mtt-85 -80.85 177.34 9.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.799 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.55 158.73 18.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.883 . . . . 0.0 109.772 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.24 145.41 0.77 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 109.187 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.675 HD12 ' HB3' ' A' ' 62' ' ' GLU . 11.8 pt -72.77 152.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -52.12 156.75 1.52 Allowed 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.179 -0.951 . . . . 0.0 108.876 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -59.85 -36.96 77.94 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.181 -0.949 . . . . 0.0 108.584 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -55.59 -28.73 56.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.326 -0.859 . . . . 0.0 110.033 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.675 ' HB3' HD12 ' A' ' 58' ' ' ILE . 36.3 mt-10 -76.21 -44.66 36.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.556 -1.34 . . . . 0.0 108.128 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 58' ' ' ILE . 70.7 mttt -61.6 -59.02 5.84 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' ' 60' ' ' LEU . 11.5 mt -42.92 -44.45 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.414 0.626 . . . . 0.0 109.674 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.13 65.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.246 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -74.0 -38.41 64.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.85 -21.2 63.38 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.543 -0.723 . . . . 0.0 109.725 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -82.08 -44.27 16.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.889 . . . . 0.0 110.467 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -76.27 -130.33 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.298 0 O-C-N 120.843 -1.16 . . . . 0.0 109.355 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -164.7 72.04 0.2 Allowed 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.648 -0.658 . . . . 0.0 109.699 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 71' ' ' ILE . 11.6 tt . . . . . 0 N--CA 1.495 1.805 0 O-C-N 120.857 -1.152 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-N19 111.945 5.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.451 3.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.593 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.591 1 O4'-C1'-N19 111.74 4.925 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.625 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.253 0 O4'-C1'-N19 110.475 3.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.654 ' N6 ' HH12 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.872 3.84 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.564 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.499 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.564 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.658 4.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.656 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.661 3.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.656 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.322 1 O4'-C1'-N19 111.244 4.305 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.551 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.848 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.456 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.161 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.673 3.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.878 0 O4'-C1'-N19 110.283 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.603 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.485 3.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.603 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.541 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.802 5.003 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.649 " H2'" ' H72' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.162 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.649 ' H72' " H2'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.974 0 O4'-C1'-N19 110.422 3.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.462 ' N3 ' ' N1 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.033 4.042 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.532 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.57 H2'' " O5'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.829 0 C3'-C2'-C1' 107.249 3.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.57 " O5'" H2'' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.469 4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.633 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.633 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.996 1 O4'-C1'-N19 111.586 4.733 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.544 1 O4'-C1'-N19 111.363 4.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.546 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.638 3.548 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 2.9 mp0 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.309 0.576 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -51.24 150.69 3.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.309 -0.87 . . . . 0.0 110.207 -179.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -84.13 172.51 11.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.108 -0.995 . . . . 0.0 109.189 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.02 159.74 34.1 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.476 -0.765 . . . . 0.0 109.126 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 48.7 p-10 -81.7 -162.86 0.57 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.097 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -87.76 -10.29 51.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.617 -0.677 . . . . 0.0 109.53 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -102.07 -91.01 0.34 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.275 -0.891 . . . . 0.0 109.38 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.9 11.96 0.07 OUTLIER Glycine 0 N--CA 1.491 2.333 0 C-N-CA 118.871 -1.633 . . . . 0.0 111.199 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 10.1 ptp180 -83.8 -163.71 0.81 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.602 -1.528 . . . . 0.0 108.436 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mm -137.45 120.03 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.161 -0.962 . . . . 0.0 108.616 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.817 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.6 mp -87.46 163.83 16.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.032 -1.043 . . . . 0.0 108.678 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -90.96 162.01 14.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.111 -0.993 . . . . 0.0 108.793 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 16' ' ' GLY . 24.1 m -47.95 161.5 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.994 -1.066 . . . . 0.0 109.236 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' HG22 ' A' ' 15' ' ' THR . . . 87.65 -49.06 3.81 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' OE1' ' CD1' ' A' ' 27' ' ' TYR . 2.7 mm-40 -88.47 154.15 20.59 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.169 -1.195 . . . . 0.0 110.008 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 p 179.53 148.44 0.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.569 -0.707 . . . . 0.0 109.108 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -82.79 150.71 26.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.693 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.49 HH21 ' CG ' ' A' ' 22' ' ' ASP . 21.5 ttp180 -95.92 -141.35 0.27 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.27 -0.894 . . . . 0.0 109.58 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -94.03 -27.03 16.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.441 -0.787 . . . . 0.0 109.971 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.49 ' CG ' HH21 ' A' ' 20' ' ' ARG . 3.2 m-20 -83.49 10.47 8.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.166 -0.959 . . . . 0.0 109.946 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.53 -8.04 22.03 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.597 ' NH2' ' P ' ' C' ' 118' ' ' ' DT' . 97.3 mtt180 -69.23 147.2 51.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -1.063 . . . . 0.0 109.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -76.47 132.61 39.71 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 177.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tt -123.9 139.58 53.82 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.45 -0.782 . . . . 0.0 109.548 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD1' ' OE1' ' A' ' 17' ' ' GLU . 22.9 t80 -134.45 103.7 5.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -92.79 138.09 31.8 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.442 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 30.8 p90 -156.37 127.44 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.877 -1.14 . . . . 0.0 110.171 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.31 119.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 33' ' ' PHE . 9.9 p30 -79.15 169.19 18.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.976 . . . . 0.0 109.917 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.28 8.1 0.17 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.873 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.505 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.9 m-85 -97.99 -28.87 13.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.5 31.92 5.35 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -139.85 114.79 7.9 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.997 . . . . 0.0 109.517 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.44 132.08 9.5 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.756 1.637 . . . . 0.0 112.119 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -114.91 146.79 40.77 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.595 -0.691 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 9.2 m-85 -110.25 142.12 42.28 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.456 -0.778 . . . . 0.0 110.465 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 113.89 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -102.79 144.95 30.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.865 . . . . 0.0 110.775 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.45 154.19 9.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -97.02 -39.52 9.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.98 -1.075 . . . . 0.0 109.028 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -93.42 132.93 37.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.76 -0.588 . . . . 0.0 110.377 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 tp -77.87 -30.53 50.88 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.8 m -138.59 151.88 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.62 69.08 0.1 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.095 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 45' ' ' VAL . 29.2 m -148.59 -43.59 0.15 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -167.55 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -137.67 156.5 47.96 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.919 -1.113 . . . . 0.0 109.707 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 50' ' ' VAL . 15.8 m -84.31 135.34 41.61 Favored Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.527 -0.733 . . . . 0.0 109.428 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -43.2 132.99 6.44 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.68 1.587 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.71 134.34 41.88 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.322 -0.861 . . . . 0.0 109.846 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.48 -16.96 56.12 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 110.019 -1.233 . . . . 0.0 110.019 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.4 mptt -88.79 171.25 10.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.139 -1.212 . . . . 0.0 109.683 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -77.79 166.51 22.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -85.47 149.17 25.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.38 -0.825 . . . . 0.0 109.426 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -167.21 153.48 8.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.858 . . . . 0.0 109.246 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.514 HD11 ' HG2' ' A' ' 63' ' ' LYS . 5.4 pt -71.21 -157.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -101.67 146.81 27.22 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.38 -47.84 18.71 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -54.13 -31.22 51.64 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.815 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HB3' HD12 ' A' ' 58' ' ' ILE . 14.9 mm-40 -77.32 -38.28 50.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.854 -1.154 . . . . 0.0 108.356 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HG2' HD11 ' A' ' 58' ' ' ILE . 77.7 mttt -64.21 -41.3 97.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.94 -41.03 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.08 62.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.525 -0.734 . . . . 0.0 109.94 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.35 -38.72 68.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.065 -1.022 . . . . 0.0 108.704 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.77 -24.42 64.42 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -81.61 -33.21 31.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -74.1 -103.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.343 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 71' ' ' ILE . 7.5 p30 -156.65 -41.76 0.07 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.26 -0.9 . . . . 0.0 109.756 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.509 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 59.6 mt . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.241 -0.912 . . . . 0.0 108.543 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.542 1 O4'-C1'-N19 112.629 6.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.503 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.892 0 O4'-C1'-N19 110.69 3.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.503 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 111.565 4.706 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.553 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.342 0 O4'-C1'-N19 110.74 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.634 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.855 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.634 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.866 5.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.212 4.264 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.612 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.612 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.356 4.445 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.453 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.922 0 O4'-C1'-N19 110.686 3.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.425 H2'' " O5'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.425 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.298 3.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.419 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.507 0 C3'-C2'-C1' 106.985 3.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.467 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C1'-N19 110.606 3.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.467 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.681 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.621 3.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.681 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.508 4.635 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.597 ' P ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.6 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.591 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.522 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 O4'-C1'-N19 110.354 3.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.585 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.7 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.7 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.568 4.71 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.577 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.712 1 O4'-C1'-N19 111.438 4.548 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.459 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -155.46 124.73 6.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.198 -0.939 . . . . 0.0 109.833 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.462 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 30.1 ttm180 -85.63 170.49 12.49 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.731 -0.606 . . . . 0.0 109.452 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.655 HH11 ' CB ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -137.52 157.4 46.62 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.398 -0.813 . . . . 0.0 109.846 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -84.0 -161.75 0.57 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.328 -0.858 . . . . 0.0 109.506 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -82.8 16.67 2.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 109.505 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -136.41 -104.22 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.386 -0.821 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.17 3.66 1.49 Allowed Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -83.72 150.01 26.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -1.11 . . . . 0.0 109.131 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -96.89 126.64 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.206 -0.934 . . . . 0.0 110.259 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.3 mt -92.15 147.21 23.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.284 -0.885 . . . . 0.0 108.935 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -90.01 156.29 18.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.04 -1.037 . . . . 0.0 108.868 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 m -47.64 147.78 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.002 -1.061 . . . . 0.0 109.364 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.08 -43.17 1.88 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 2.7 mp0 -91.56 155.59 18.26 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.253 -1.145 . . . . 0.0 109.934 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -168.41 -162.8 0.42 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.147 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -140.11 143.19 36.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.204 -0.935 . . . . 0.0 109.369 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.57 HH22 ' N6 ' ' B' ' 105' ' ' ' DA' . 0.1 OUTLIER -85.43 -144.24 0.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.38 -0.825 . . . . 0.0 110.311 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -95.41 -23.15 17.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.724 -0.61 . . . . 0.0 109.68 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.92 0.32 44.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.909 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.53 -17.95 41.05 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.624 ' NH1' ' H71' ' C' ' 119' ' ' ' DT' . 10.5 ptp180 -67.55 155.29 39.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.278 . . . . 0.0 109.081 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.19 147.91 36.19 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.221 -0.924 . . . . 0.0 109.821 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.57 115.71 12.47 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -105.56 107.91 19.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -100.99 138.39 38.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 34.5 p90 -155.0 142.15 19.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.907 -1.121 . . . . 0.0 109.984 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.0 mm -77.83 122.1 31.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.6 m-20 -77.56 171.39 14.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.942 . . . . 0.0 109.499 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.6 m -68.16 10.74 0.2 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -0.801 . . . . 0.0 109.817 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASP . 42.3 m-85 -100.05 -32.36 10.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.245 -0.91 . . . . 0.0 108.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 32.13 3.8 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.64 116.22 6.92 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.358 -1.083 . . . . 0.0 109.07 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -43.08 154.16 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.813 1.675 . . . . 0.0 112.159 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.7 tt0 -134.96 140.39 45.67 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.471 -0.768 . . . . 0.0 109.33 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 8.1 m-85 -102.06 134.3 45.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.4 -0.812 . . . . 0.0 111.416 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.19 118.42 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 176.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -100.83 157.38 16.76 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.995 -1.066 . . . . 0.0 111.479 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 t -176.27 165.7 2.79 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -115.43 -32.39 5.61 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.227 -0.92 . . . . 0.0 108.959 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 58' ' ' ILE . 11.4 mtmm -95.26 131.11 41.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.522 -0.736 . . . . 0.0 110.266 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.08 -32.48 65.03 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.558 ' N ' ' OG ' ' A' ' 59' ' ' SER . 3.0 m -137.62 158.36 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.96 65.82 1.12 Allowed 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 m -150.02 -36.21 0.16 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.45 -161.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 49' ' ' ARG . 2.0 mmt-85 -136.03 -160.02 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 109.188 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 50' ' ' VAL . 28.8 m -156.91 118.03 2.11 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.43 144.1 5.06 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.86 1.707 . . . . 0.0 112.639 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.21 158.48 1.56 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.528 -0.733 . . . . 0.0 109.682 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -18.95 40.2 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.0 mptt -87.96 150.0 23.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.297 -1.119 . . . . 0.0 109.021 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -80.06 121.27 25.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.177 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -51.34 154.88 1.58 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.24 -0.912 . . . . 0.0 109.846 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -174.89 160.79 2.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.382 -0.824 . . . . 0.0 108.97 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.585 HD12 ' CB ' ' A' ' 62' ' ' GLU . 10.8 pt -72.43 -176.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.558 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -85.5 144.97 27.63 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.997 -1.065 . . . . 0.0 108.439 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD22 HD11 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -48.02 -35.47 11.1 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 0.0 108.781 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -56.36 -28.82 60.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.521 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.585 ' CB ' HD12 ' A' ' 58' ' ' ILE . 45.3 mm-40 -77.69 -48.51 16.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.888 -1.133 . . . . 0.0 108.712 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HG2' HD11 ' A' ' 58' ' ' ILE . 46.1 mttp -58.53 -45.28 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.515 HD11 HD22 ' A' ' 60' ' ' LEU . 9.9 mt -56.63 -43.33 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.61 -31.36 46.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.454 -0.779 . . . . 0.0 110.097 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -74.2 -38.32 63.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.041 -1.037 . . . . 0.0 109.276 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.89 -23.07 63.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.592 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -81.77 -44.55 16.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 109.968 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -75.7 -115.61 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.937 -1.102 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -159.09 9.34 0.12 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.462 -0.774 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.058 -1.026 . . . . 0.0 109.662 -179.817 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.761 4.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.53 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.616 3.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.53 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.653 4.816 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.588 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.313 0 O4'-C1'-N19 110.646 3.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.588 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.913 3.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.595 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.741 4.926 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.595 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.327 1 O4'-C1'-N19 111.461 4.576 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.638 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.7 3.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.638 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.072 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.572 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.111 4.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.572 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.383 1 O4'-C1'-N19 111.638 4.798 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.456 ' H72' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.391 3.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.162 0 O4'-C1'-N19 110.395 3.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 0 O4'-C1'-N19 110.489 3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.603 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.618 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.45 1 O4'-C1'-N19 111.893 5.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.618 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.615 4.769 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.562 ' P ' HH22 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.639 3.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.624 ' H71' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.432 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.569 ' N4 ' ' CE2' ' A' ' 38' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.417 3.271 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.541 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.836 1 O4'-C1'-N19 111.018 4.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.657 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.657 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.057 1 O4'-C1'-N19 111.59 4.737 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.591 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.45 4.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.587 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-N19 110.654 3.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.304 0.573 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.438 ' CG ' ' H ' ' A' ' 5' ' ' ARG . 3.0 tppt? -164.9 -127.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.857 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' HG3' HH11 ' A' ' 5' ' ' ARG . 13.6 mtm-85 -155.45 126.19 6.95 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.319 -0.863 . . . . 0.0 108.907 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -111.49 167.24 10.47 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.562 -0.711 . . . . 0.0 109.402 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 23.4 p-10 -82.94 -171.37 3.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.211 -0.931 . . . . 0.0 109.733 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.45 ' OD1' ' NE2' ' A' ' 19' ' ' GLN . 29.6 m-80 -64.0 -10.12 19.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 109.861 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -104.25 -97.36 0.32 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.312 -0.868 . . . . 0.0 109.463 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.68 14.9 0.24 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 51.4 mtm180 -82.74 -176.25 6.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 0.0 108.849 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -117.9 118.65 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.394 -0.816 . . . . 0.0 109.973 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -88.77 142.51 27.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -89.13 161.57 16.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.028 -1.045 . . . . 0.0 109.017 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 16' ' ' GLY . 25.9 m -47.75 161.23 0.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.995 -1.066 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' HG22 ' A' ' 15' ' ' THR . . . 77.4 -36.44 1.56 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 15' ' ' THR . 89.6 mt-10 -90.37 147.79 23.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.339 -1.095 . . . . 0.0 110.429 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.506 ' OG ' ' P ' ' B' ' 104' ' ' ' DT' . 23.1 t -166.71 -154.24 0.17 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.094 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 8' ' ' ASN . 11.5 pt20 -144.36 134.32 23.95 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.947 -1.096 . . . . 0.0 110.263 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.558 ' NH2' ' N7 ' ' B' ' 106' ' ' ' DG' . 0.0 OUTLIER -83.69 154.81 23.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.235 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.2 mtpm? -43.67 -18.78 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.443 -0.786 . . . . 0.0 109.974 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' ARG . 87.9 m-20 -81.23 -2.48 48.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.849 . . . . 0.0 109.863 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.37 -21.52 12.97 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.485 HH12 ' H72' ' C' ' 119' ' ' ' DT' . 10.6 ptp180 -67.9 159.51 30.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.097 -1.237 . . . . 0.0 109.029 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 58.6 m-85 -80.61 151.91 28.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.128 -0.983 . . . . 0.0 109.628 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 26' ' ' LEU . 6.2 tt -139.21 112.09 7.9 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -102.96 103.02 13.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.814 0.816 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -94.58 135.55 35.91 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' TYR . 14.1 p90 -155.55 113.12 3.33 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -0.966 . . . . 0.0 109.397 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.2 140.84 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.519 -0.738 . . . . 0.0 109.152 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 33' ' ' PHE . 14.8 p30 -84.31 169.0 15.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.513 -0.742 . . . . 0.0 109.972 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 m -62.09 2.23 0.25 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 0.0 109.677 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 31' ' ' ASP . 41.9 m-85 -97.52 -31.69 12.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.68 11.65 22.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -100.66 107.82 50.63 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -44.98 122.53 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.061 1.841 . . . . 0.0 112.58 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -105.21 134.44 48.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.447 -0.783 . . . . 0.0 109.005 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.96 141.39 44.48 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-O 121.724 0.773 . . . . 0.0 111.234 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -137.85 119.26 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -102.1 160.38 14.56 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.074 -1.016 . . . . 0.0 110.997 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -176.35 165.16 2.71 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -114.12 -34.94 5.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.216 -0.927 . . . . 0.0 108.554 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 18.2 mtmt -94.04 130.47 40.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.544 -0.722 . . . . 0.0 109.744 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.38 -27.79 59.24 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -139.13 150.78 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.21 65.15 0.39 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.22 -0.925 . . . . 0.0 110.034 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.9 m -149.69 -35.0 0.17 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -66.48 -160.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -134.17 -170.23 2.48 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.157 -0.964 . . . . 0.0 109.39 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 50' ' ' VAL . 33.2 m -155.94 135.8 8.34 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 121.33 -0.857 . . . . 0.0 109.141 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HG2' ' HZ3' ' A' ' 54' ' ' LYS . 91.4 Cg_exo -40.73 130.88 2.73 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 121.699 1.6 . . . . 0.0 111.834 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.44 58.16 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.196 -0.94 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.72 89.65 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HZ3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -92.36 168.71 11.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.006 -1.291 . . . . 0.0 109.931 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -79.0 143.63 35.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.641 -0.662 . . . . 0.0 109.31 -179.526 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.39 151.87 26.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 108.88 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -173.15 156.36 3.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.143 -0.973 . . . . 0.0 109.374 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.712 HD12 ' HB3' ' A' ' 62' ' ' GLU . 10.7 pt -73.83 145.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -49.28 146.86 3.45 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.178 -0.951 . . . . 0.0 109.483 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -50.63 -32.46 19.04 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.591 -0.693 . . . . 0.0 109.445 -179.305 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -56.6 -31.98 64.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.039 -1.038 . . . . 0.0 109.686 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.712 ' HB3' HD12 ' A' ' 58' ' ' ILE . 45.3 mm-40 -77.11 -46.12 24.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.997 -1.064 . . . . 0.0 108.654 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -59.02 -44.02 91.67 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 60' ' ' LEU . 12.9 mt -63.71 -40.74 90.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.98 -30.11 45.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.474 -0.766 . . . . 0.0 110.175 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -74.16 -40.37 62.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.997 -1.064 . . . . 0.0 109.008 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.55 -26.93 66.55 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -84.56 32.31 0.51 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -154.86 -117.52 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.283 -0.886 . . . . 0.0 109.432 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -160.72 98.37 1.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.181 -0.95 . . . . 0.0 109.464 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.249 -0.907 . . . . 0.0 109.249 179.698 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.337 1 O4'-C1'-N19 112.217 5.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.707 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.126 0 O4'-C1'-N19 110.548 3.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.707 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.502 4.628 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.506 ' P ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C5'--C4' 1.535 2.97 0 O4'-C1'-N19 110.693 3.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.656 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.889 1 O4'-C1'-N19 111.173 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.656 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.743 4.929 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.604 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.17 4.212 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.62 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.721 3.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.62 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.478 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.77 3.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.44 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.094 1 O4'-C1'-N19 111.011 4.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.479 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.274 3.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.55 3.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.595 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.477 3.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.595 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.049 1 O4'-C1'-N19 111.884 5.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.133 4.167 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.565 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.502 3.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.565 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.125 4.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.527 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.625 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.895 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.699 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.686 3.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.699 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.101 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.616 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 111.139 4.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.75 3.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 161.59 22.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.333 -0.855 . . . . 0.0 109.311 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -82.61 171.0 14.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.455 -0.778 . . . . 0.0 109.235 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -134.79 162.03 33.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.366 -0.834 . . . . 0.0 109.425 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD2' ' CZ ' ' A' ' 11' ' ' ARG . 21.7 p-10 -83.18 -157.78 0.25 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.454 ' ND2' ' OE1' ' A' ' 19' ' ' GLN . 34.8 m120 -87.51 19.09 3.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.21 -0.932 . . . . 0.0 110.15 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -135.13 -87.71 0.36 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.606 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.17 12.65 0.1 OUTLIER Glycine 0 N--CA 1.489 2.199 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.114 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' CZ ' ' OD2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -82.09 -171.4 3.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.312 . . . . 0.0 108.527 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -129.75 109.22 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.487 -0.758 . . . . 0.0 109.894 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.0 mt -88.86 131.97 34.87 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.262 -0.899 . . . . 0.0 108.652 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.16 172.21 9.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.06 -1.025 . . . . 0.0 109.068 -179.713 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 16' ' ' GLY . 85.6 m -47.86 157.44 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 109.639 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 15' ' ' THR . . . 77.09 -40.0 1.66 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 15' ' ' THR . 17.8 mp0 -88.51 132.03 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.121 -1.223 . . . . 0.0 109.521 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -156.98 -156.39 0.6 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.0 109.13 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.454 ' OE1' ' ND2' ' A' ' 8' ' ' ASN . 2.9 pt20 -153.71 146.64 24.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 22' ' ' ASP . 13.1 ttp180 -76.97 -149.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.707 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -95.19 -27.34 15.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.763 . . . . 0.0 109.754 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 20' ' ' ARG . 13.5 m-20 -83.81 15.88 3.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.226 -0.921 . . . . 0.0 109.608 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.05 4.91 86.72 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' CG ' ' CH2' ' A' ' 42' ' ' TRP . 93.7 mtt180 -68.76 126.28 29.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.419 -1.048 . . . . 0.0 109.796 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -74.54 135.94 42.15 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 26' ' ' LEU . 1.1 pp -140.9 152.08 44.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.028 . . . . 0.0 110.152 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -131.7 115.47 16.07 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -98.75 142.4 30.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.701 -0.624 . . . . 0.0 109.377 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 7.8 p90 -153.26 132.62 12.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.969 -1.082 . . . . 0.0 109.375 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mm -77.66 123.38 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.542 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 1.1 m-20 -77.62 -177.26 4.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.532 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -72.44 0.65 9.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 0.0 110.243 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -94.57 -26.91 16.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.282 -0.886 . . . . 0.0 109.239 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.05 17.48 22.65 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.83 111.47 41.1 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.719 -0.871 . . . . 0.0 109.566 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.74 146.72 2.13 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.932 1.755 . . . . 0.0 112.296 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.542 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 23.0 tt0 -129.48 132.16 46.86 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.536 ' HE1' ' H73' ' C' ' 122' ' ' ' DT' . 13.7 m-85 -97.27 150.48 20.89 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.112 -0.992 . . . . 0.0 111.732 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.37 101.72 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -96.54 169.86 9.61 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.087 -1.008 . . . . 0.0 111.83 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 1.1 p -173.85 -158.27 0.09 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' N ' ' OG ' ' A' ' 41' ' ' SER . 56.5 m95 -140.8 -32.68 0.56 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.928 -1.107 . . . . 0.0 108.894 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -98.77 130.96 45.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.368 -0.833 . . . . 0.0 110.366 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' C ' ' OG ' ' A' ' 59' ' ' SER . 59.2 tp -69.59 -39.78 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.4 m -135.56 157.17 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.88 66.83 0.1 Allowed 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' VAL . 42.5 m -150.59 -37.53 0.14 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.41 -160.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -140.7 -157.74 0.79 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.019 -1.051 . . . . 0.0 109.981 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 50' ' ' VAL . 23.7 m -154.09 123.86 3.27 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -39.8 128.98 1.98 Allowed 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.825 1.683 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 147.12 2.55 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.688 -0.632 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.33 -21.16 47.67 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -87.07 166.33 15.11 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -1.178 . . . . 0.0 109.795 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -78.79 147.36 33.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.388 -0.82 . . . . 0.0 109.491 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -83.75 159.7 21.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 109.804 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.37 162.42 2.89 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.569 HD12 ' CB ' ' A' ' 62' ' ' GLU . 9.5 pt -71.71 -165.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -95.6 140.79 29.93 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.5 tp -46.44 -22.1 0.23 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.421 -0.799 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' NH1' HD12 ' A' ' 64' ' ' ILE . 4.0 mmt-85 -72.29 -32.22 66.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.265 -0.897 . . . . 0.0 108.908 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.569 ' CB ' HD12 ' A' ' 58' ' ' ILE . 70.4 mt-10 -75.78 -38.86 57.88 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.213 -0.929 . . . . 0.0 108.648 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HG2' HD11 ' A' ' 58' ' ' ILE . 55.6 mttt -63.97 -44.26 93.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.432 HD12 ' NH1' ' A' ' 61' ' ' ARG . 30.9 mt -57.87 -42.87 83.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.98 60.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.575 -0.703 . . . . 0.0 110.258 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -71.9 -34.64 69.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 108.988 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -68.28 -35.82 78.44 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -82.14 -26.75 33.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.335 -0.853 . . . . 0.0 109.256 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -73.16 -97.85 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 0.0 109.608 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -156.6 80.01 0.95 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 109.385 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.134 -0.979 . . . . 0.0 109.359 -179.738 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.423 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.487 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.66 3.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.487 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.727 4.909 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O4'-C1'-N19 110.713 3.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.628 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.901 0 O4'-C1'-N19 110.761 3.702 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.628 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.727 4.909 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.52 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.105 1 O4'-C1'-N19 111.234 4.293 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.636 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.546 3.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.636 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.277 4.347 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.643 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.643 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.788 4.984 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.813 0 O4'-C1'-N19 110.589 3.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.374 3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.623 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.419 3.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.623 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.594 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.682 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.948 1 O4'-C1'-N19 111.804 5.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.682 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.448 1 O4'-C1'-N19 112.297 5.621 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.492 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.557 3.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.684 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.82 3.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.684 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.693 0 O4'-C1'-N19 110.806 3.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.46 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.536 ' H73' ' HE1' ' A' ' 38' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.553 4.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.606 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.576 0 O4'-C1'-N19 110.758 3.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.606 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.741 4.926 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.533 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.495 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.533 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 13.9 mp0 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.496 ' H ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -79.13 -99.48 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' NH2' ' O ' ' A' ' 17' ' ' GLU . 29.4 mtm-85 -157.33 176.79 12.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.371 -0.83 . . . . 0.0 109.336 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -134.67 153.65 51.89 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.41 -0.806 . . . . 0.0 109.145 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 25.7 p-10 -82.78 -162.18 0.56 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.799 . . . . 0.0 109.654 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -86.69 -6.36 58.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.282 -0.886 . . . . 0.0 109.647 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -107.64 -88.08 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.377 -0.827 . . . . 0.0 109.709 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.07 10.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 7' ' ' ASP . 28.6 mtm-85 -84.39 -174.58 5.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.015 -1.286 . . . . 0.0 108.789 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -122.26 120.33 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.315 -0.866 . . . . 0.0 109.902 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.8 mt -87.19 140.77 29.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' GLY . 27.7 mmtt -88.41 155.32 19.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.316 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.2 m -46.76 92.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.273 -0.892 . . . . 0.0 109.438 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 159.46 -50.29 0.39 Allowed Glycine 0 N--CA 1.486 1.987 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' NH2' ' A' ' 5' ' ' ARG . 11.3 mp0 -89.57 122.74 33.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -1.095 . . . . 0.0 109.888 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -152.6 122.45 6.97 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -60.94 157.37 15.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.122 -0.986 . . . . 0.0 110.003 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.585 ' NH2' ' N7 ' ' B' ' 106' ' ' ' DG' . 7.2 ttt180 -108.24 -137.43 0.37 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.638 0.732 . . . . 0.0 110.348 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 4.2 mtpm? -89.14 -25.53 21.8 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.512 -0.743 . . . . 0.0 110.342 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . 52.0 m-20 -82.29 2.15 33.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.919 -1.113 . . . . 0.0 109.993 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -19.8 5.77 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.628 HH12 ' H72' ' C' ' 119' ' ' ' DT' . 9.0 ptp180 -67.76 157.01 35.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.343 -1.093 . . . . 0.0 109.3 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -74.87 143.8 43.67 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.104 -0.998 . . . . 0.0 108.629 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.14 112.38 11.08 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.7 t80 -101.4 99.85 10.25 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.626 0.727 . . . . 0.0 109.3 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -97.15 134.35 40.59 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 30.4 p90 -154.25 138.93 16.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.819 -1.176 . . . . 0.0 110.221 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -74.81 127.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 33' ' ' PHE . 5.0 m-20 -79.51 168.87 18.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 109.548 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -62.8 5.52 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.331 -0.856 . . . . 0.0 110.269 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 31' ' ' ASP . 24.9 m-85 -100.24 -30.63 11.79 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.076 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.44 29.75 4.95 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 3.6 pt-20 -130.76 113.9 16.53 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.645 -0.915 . . . . 0.0 108.715 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -42.24 154.41 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.97 1.78 . . . . 0.0 112.204 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -134.5 132.15 38.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.478 -0.764 . . . . 0.0 109.615 -179.169 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.529 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 7.5 m-85 -101.81 126.1 48.62 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.324 -0.86 . . . . 0.0 111.531 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG23 ' NE2' ' A' ' 37' ' ' GLN . 98.9 t -128.48 118.74 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -102.02 159.46 15.34 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.56 156.74 1.19 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -106.62 -37.09 6.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.345 -0.847 . . . . 0.0 109.407 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.61 132.48 39.28 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.2 -33.34 63.39 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -137.43 149.89 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.82 65.49 0.09 Allowed 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.136 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' VAL . 4.7 m -151.19 -33.83 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.92 -158.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.456 -0.777 . . . . 0.0 109.093 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 50' ' ' VAL . 29.8 mmt180 -130.6 -163.76 1.35 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.175 -0.953 . . . . 0.0 109.246 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 50' ' ' VAL . 20.2 m -157.51 118.07 2.0 Allowed Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.251 -0.905 . . . . 0.0 109.218 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.28 141.81 3.02 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.926 1.751 . . . . 0.0 112.691 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.36 157.22 3.84 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.594 -0.691 . . . . 0.0 109.665 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -14.97 57.22 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.9 mptt -88.23 153.18 21.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -1.174 . . . . 0.0 109.388 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -81.18 116.21 20.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.362 -0.836 . . . . 0.0 109.387 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -50.42 151.7 2.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.117 -0.989 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.97 160.72 6.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.326 -0.859 . . . . 0.0 108.878 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 pt -73.57 142.96 14.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.221 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 p -47.83 149.47 1.3 Allowed 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.355 -0.841 . . . . 0.0 109.595 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -47.77 -53.35 15.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.056 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -45.27 -31.62 1.63 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 0.0 110.187 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.61 -29.46 45.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.698 -1.251 . . . . 0.0 108.125 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' LEU . 71.7 mttt -72.17 -45.75 59.15 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 7.0 mt -62.05 -39.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.53 66.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.93 -34.04 68.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.051 -1.03 . . . . 0.0 109.557 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 71' ' ' ILE . 16.8 mt -65.22 -41.0 94.85 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -84.55 -7.62 59.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.454 -0.779 . . . . 0.0 109.626 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -74.53 -95.64 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.103 -0.998 . . . . 0.0 110.316 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.0 -26.13 25.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.123 -0.986 . . . . 0.0 110.352 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 67' ' ' LEU . 13.3 mm . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.945 -1.097 . . . . 0.0 109.415 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.405 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 110.716 3.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.405 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.831 1 O4'-C1'-N19 111.444 4.555 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.373 0 O4'-C1'-N19 110.461 3.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.629 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.629 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.515 4.644 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.531 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.142 1 O4'-C1'-N19 111.05 4.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.567 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.47 3.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.567 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 111.069 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.455 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.959 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.424 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.406 3.258 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.272 3.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.602 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.595 3.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.676 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.246 1 O4'-C1'-N19 111.762 4.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.676 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.047 1 O4'-C1'-N19 112.235 5.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.602 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.394 3.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.628 ' H72' HH12 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.574 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.543 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.6 0 O4'-C1'-N19 110.649 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.511 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.71 0 C3'-C2'-C1' 107.209 3.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.526 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.23 1 O4'-C1'-N19 111.365 4.456 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.626 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.688 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.626 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.577 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.331 0.586 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -86.61 110.55 19.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.162 -0.961 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' HD2' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -79.94 178.24 8.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.035 -1.041 . . . . 0.0 109.205 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' A' ' 6' ' ' ARG . 1.9 mtt-85 -135.1 177.28 7.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.373 -0.83 . . . . 0.0 109.48 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 22.7 p-10 -83.48 -176.75 6.46 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.192 -0.942 . . . . 0.0 109.189 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -65.36 -6.82 11.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.155 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.33 -96.62 0.3 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.493 -0.755 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.33 16.85 0.11 Allowed Glycine 0 N--CA 1.492 2.413 0 C-N-CA 119.569 -1.3 . . . . 0.0 109.909 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 71.4 mtm180 -84.01 -165.18 1.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.204 -1.174 . . . . 0.0 109.265 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 HD13 HH11 ' A' ' 6' ' ' ARG . 4.1 mm -133.03 122.99 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.431 -0.793 . . . . 0.0 109.183 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' H ' HD12 ' A' ' 13' ' ' LEU . 4.9 mp -89.41 154.38 20.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 108.762 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -88.47 161.86 16.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.09 -1.006 . . . . 0.0 108.712 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' GLY . 30.0 m -46.79 162.19 0.05 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.056 -1.028 . . . . 0.0 109.49 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' THR . . . 80.28 -38.79 2.25 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' OE2' ' CD1' ' A' ' 27' ' ' TYR . 17.1 mp0 -94.1 145.86 24.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.295 -1.121 . . . . 0.0 110.275 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -179.74 137.95 0.13 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.68 143.73 47.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.076 -1.015 . . . . 0.0 109.563 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.528 ' NH1' ' H ' ' A' ' 22' ' ' ASP . 4.0 ptm180 -97.83 -151.31 0.37 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.346 -0.846 . . . . 0.0 110.063 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -78.32 -26.35 46.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.157 -0.965 . . . . 0.0 111.163 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.528 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 99.5 m-20 -80.89 2.48 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.823 -1.173 . . . . 0.0 110.286 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -24.64 3.55 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.568 HH12 ' H72' ' C' ' 119' ' ' ' DT' . 10.7 ptp180 -67.23 158.44 31.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.347 . . . . 0.0 109.187 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.65 151.34 39.32 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.284 -0.885 . . . . 0.0 109.335 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.18 127.42 21.15 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 28.5 t80 -121.67 105.23 10.23 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -88.36 139.88 30.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 4.1 p90 -151.0 136.49 17.82 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.946 -1.097 . . . . 0.0 109.58 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -80.44 125.01 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.718 -0.614 . . . . 0.0 109.504 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -79.93 -178.74 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -78.49 11.2 2.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 109.866 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -100.81 -29.41 12.27 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.42 33.44 3.91 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 3.2 pt-20 -140.88 117.16 7.57 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.453 -1.027 . . . . 0.0 108.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.07 157.59 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.845 1.696 . . . . 0.0 112.543 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -135.2 136.85 42.1 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.459 -0.776 . . . . 0.0 109.304 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -100.34 126.7 46.72 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.268 -0.895 . . . . 0.0 111.271 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.49 119.24 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.83 153.12 20.12 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.096 -1.003 . . . . 0.0 111.453 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -173.3 142.77 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -96.68 -26.24 15.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 10.1 mtpp -96.6 134.5 39.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.527 -0.733 . . . . 0.0 110.212 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD11 ' CZ ' ' A' ' 61' ' ' ARG . 43.9 tp -79.94 -26.19 40.17 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.7 m -145.41 155.91 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -70.1 67.16 0.29 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.362 -0.837 . . . . 0.0 109.722 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' VAL . 36.4 m -149.87 -40.46 0.14 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.551 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 1.7 m-20 -67.98 -169.57 0.14 Allowed 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.564 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -138.39 149.77 45.87 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.122 -0.986 . . . . 0.0 109.391 179.399 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 50' ' ' VAL . 19.4 m -85.2 137.7 37.04 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.536 -0.728 . . . . 0.0 109.566 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.83 160.0 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.074 1.182 . . . . 0.0 111.034 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -57.43 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.395 -0.816 . . . . 0.0 111.709 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -2.07 0.05 OUTLIER Glycine 0 N--CA 1.494 2.512 0 O-C-N 121.276 -0.89 . . . . 0.0 111.742 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 52' ' ' ALA . 5.3 mptt -91.71 157.84 16.71 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.531 -1.57 . . . . 0.0 109.989 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -81.92 174.24 11.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 0.0 109.313 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -98.25 145.48 26.6 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.267 -0.896 . . . . 0.0 109.138 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' ILE . . . -166.18 63.4 0.1 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.22 -0.925 . . . . 0.0 110.032 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 62' ' ' GLU . 6.1 pt 24.27 -140.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.327 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.429 ' OG ' ' OE2' ' A' ' 62' ' ' GLU . 1.1 p -124.47 147.45 48.32 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -49.21 -36.54 20.22 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.262 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' CZ ' HD11 ' A' ' 44' ' ' LEU . 10.2 mpt_? -62.4 -27.49 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 0.0 109.469 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -77.27 -41.34 41.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.529 -1.357 . . . . 0.0 107.867 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.501 ' HG2' HD11 ' A' ' 58' ' ' ILE . 41.6 mttm -67.03 -58.13 5.52 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.52 ' CD1' HD22 ' A' ' 60' ' ' LEU . 6.5 mt -44.96 -46.28 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.99 63.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.787 . . . . 0.0 110.103 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.049 -1.032 . . . . 0.0 109.351 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.06 -38.65 79.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.45 -0.781 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -82.06 -20.67 37.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 109.583 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 63.0 tttm -72.59 -71.66 0.28 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 0.0 109.631 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 69' ' ' LYS . 62.7 m-20 -154.95 -74.65 0.11 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.251 -0.906 . . . . 0.0 109.385 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.345 -0.847 . . . . 0.0 109.035 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.729 1 O4'-C1'-N19 111.826 5.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.63 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.827 0 O4'-C1'-N19 110.509 3.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.63 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.718 1 O4'-C1'-N19 111.456 4.57 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.571 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.345 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.625 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.625 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.67 4.837 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.521 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.281 4.352 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.615 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.77 0 O4'-C1'-N19 110.619 3.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.615 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.943 1 O4'-C1'-N19 111.22 4.276 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.514 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.012 4.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.514 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.957 1 O4'-C1'-N19 111.162 4.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . 0.434 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.435 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.586 0 C3'-C2'-C1' 107.087 3.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.476 3.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.542 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.685 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.228 1 O4'-C1'-N19 112.023 5.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.685 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.157 1 O4'-C1'-N19 112.378 5.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.613 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.613 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.632 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.849 0 O4'-C1'-N19 110.636 3.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.514 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.744 3.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.544 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.262 4.327 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.675 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.646 3.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.675 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.623 4.779 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.572 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.367 4.459 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.572 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.642 3.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.24 -167.62 1.94 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.304 -0.872 . . . . 0.0 110.275 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -94.7 169.16 10.36 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.561 0.696 . . . . 0.0 110.307 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.39 150.45 45.31 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 18.1 p-10 -81.89 -172.46 3.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.941 . . . . 0.0 109.98 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -91.82 4.88 51.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.372 -0.83 . . . . 0.0 110.152 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -103.12 -52.28 3.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.187 -0.945 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.25 -0.9 0.43 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NH1' HD23 ' A' ' 44' ' ' LEU . 65.5 mtm180 -79.72 -160.4 0.26 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.109 -1.23 . . . . 0.0 108.391 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mm -131.86 120.71 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.226 -0.921 . . . . 0.0 109.842 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -89.11 141.32 28.61 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.195 -0.941 . . . . 0.0 108.555 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -91.01 -167.46 1.82 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.081 -1.012 . . . . 0.0 109.737 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 16' ' ' GLY . 53.4 m -72.09 169.27 16.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.175 -0.953 . . . . 0.0 108.556 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.571 ' N ' HG22 ' A' ' 15' ' ' THR . . . 71.09 -49.3 0.89 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -90.36 140.68 29.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.383 -1.069 . . . . 0.0 109.33 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.0 p -156.32 -133.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.178 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -159.75 142.19 13.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -0.919 . . . . 0.0 109.466 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -85.15 -153.49 0.17 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.272 -0.893 . . . . 0.0 110.075 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -95.41 -23.35 17.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.413 -0.804 . . . . 0.0 110.621 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 1.92 28.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.054 -1.029 . . . . 0.0 109.906 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.74 -16.77 58.51 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' CZ ' ' OP2' ' C' ' 119' ' ' ' DT' . 2.6 ptm180 -68.41 154.72 41.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.198 -1.177 . . . . 0.0 109.219 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -74.84 154.92 38.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.268 -0.895 . . . . 0.0 109.078 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -138.9 133.93 32.56 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.389 -0.819 . . . . 0.0 108.91 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -129.59 102.89 6.56 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -96.57 137.24 35.94 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 11.9 p90 -152.13 135.23 15.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.897 -1.127 . . . . 0.0 109.526 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.38 126.16 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.641 -0.662 . . . . 0.0 109.595 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.4 m-20 -80.18 177.91 8.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.214 -0.929 . . . . 0.0 109.489 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -75.24 11.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.813 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.54 -30.38 11.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.0 34.03 3.86 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -140.09 115.46 7.84 Favored Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.598 -0.942 . . . . 0.0 108.913 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -42.77 159.84 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.874 1.716 . . . . 0.0 112.389 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.575 ' NE2' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -136.36 127.85 28.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.371 -0.83 . . . . 0.0 109.512 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.481 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 9.3 m-85 -96.85 128.65 44.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.297 -0.877 . . . . 0.0 111.351 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.575 HG23 ' NE2' ' A' ' 37' ' ' GLN . 77.3 t -127.52 116.88 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -102.41 147.58 26.54 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.209 -0.932 . . . . 0.0 110.987 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.8 148.1 17.27 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -101.91 -38.08 7.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.131 -0.981 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -91.54 125.7 36.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.567 -0.708 . . . . 0.0 109.777 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD23 ' NH1' ' A' ' 11' ' ' ARG . 58.6 tp -73.54 -25.53 60.43 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.1 m -142.28 152.25 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' N ' ' HB3' ' A' ' 59' ' ' SER . . . -70.47 66.31 0.32 Allowed 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.735 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' VAL . 20.7 m -151.82 -35.56 0.13 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.34 -166.67 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.654 -0.654 . . . . 0.0 109.561 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -131.93 -154.94 0.65 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -156.67 133.69 6.52 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.008 -1.057 . . . . 0.0 109.898 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -41.82 132.59 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.061 1.841 . . . . 0.0 112.494 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 147.38 6.77 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.381 -0.825 . . . . 0.0 109.29 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.03 51.72 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 54' ' ' LYS . 11.3 mptt -87.52 155.51 19.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -1.17 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -79.41 140.01 37.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.161 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -69.59 158.0 36.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.962 . . . . 0.0 109.384 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -169.07 157.35 7.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.0 108.931 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 62' ' ' GLU . 5.9 pt -72.02 163.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.407 ' HB3' ' N ' ' A' ' 46' ' ' ALA . 1.3 p -65.27 156.23 32.65 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 121.076 -1.015 . . . . 0.0 109.949 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' HG ' HD12 ' A' ' 64' ' ' ILE . 17.0 tp -52.6 -46.28 66.92 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -56.58 -29.19 61.78 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.181 -0.949 . . . . 0.0 110.015 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HB3' HD12 ' A' ' 58' ' ' ILE . 39.7 mm-40 -74.45 -37.12 63.33 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -66.52 -64.17 0.91 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.455 HD12 ' HG ' ' A' ' 60' ' ' LEU . 6.9 mt -48.86 -39.53 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.344 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 61' ' ' ARG . . . -53.21 -38.16 62.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.328 -0.858 . . . . 0.0 110.383 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -72.94 -36.1 67.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.823 -1.173 . . . . 0.0 108.845 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.98 -27.88 61.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.463 -0.773 . . . . 0.0 111.287 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -82.27 -32.57 29.52 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.628 -1.295 . . . . 0.0 110.638 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -74.62 -119.37 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.854 -1.154 . . . . 0.0 109.561 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -161.58 68.21 0.29 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.313 -0.867 . . . . 0.0 109.748 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.6 mp . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.037 -1.039 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.496 1 O4'-C1'-N19 112.526 5.907 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.97 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.437 ' N2 ' ' O2 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.595 4.744 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.557 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.34 0 O4'-C1'-N19 110.727 3.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.615 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.942 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.615 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C1'-N19 111.609 4.762 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.483 H2'' " O5'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.669 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.578 3.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.669 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.164 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.536 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.076 4.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . 0.443 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.291 1 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.569 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.6 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.542 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.583 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C1'-N19 110.88 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.583 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.833 5.041 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.517 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.538 4.672 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.4 " H3'" HH22 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.654 0 C3'-C2'-C1' 107.112 3.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.523 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.523 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.954 0 O4'-C1'-N19 110.567 3.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.504 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 0 O4'-C1'-N19 110.575 3.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.536 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.653 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.824 3.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.653 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 111.363 4.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.552 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.719 1 O4'-C1'-N19 111.393 4.491 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.552 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.722 3.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HE ' ' HA2' ' A' ' 10' ' ' GLY . 4.3 mmm-85 . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -81.76 -165.97 1.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.54 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -79.24 10.57 3.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 0.0 109.844 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -134.22 -93.9 0.3 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.89 . . . . 0.0 109.554 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA2' ' HE ' ' A' ' 6' ' ' ARG . . . -151.48 8.59 0.65 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.448 HH21 HD23 ' A' ' 44' ' ' LEU . 10.7 mtp180 -84.75 145.2 28.04 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -1.153 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mm -90.64 124.84 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 110.054 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.69 157.67 18.46 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -88.78 157.66 18.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.868 -1.145 . . . . 0.0 109.03 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 16' ' ' GLY . 88.6 m -47.3 168.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.989 -1.069 . . . . 0.0 109.486 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 15' ' ' THR . . . 74.69 -41.19 1.19 Allowed Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 15' ' ' THR . 45.8 mt-10 -92.1 164.12 13.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.273 -1.134 . . . . 0.0 110.223 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 19' ' ' GLN . 27.6 t -175.99 -147.03 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.533 ' N ' ' OG ' ' A' ' 18' ' ' SER . 11.4 pt20 -150.33 129.34 12.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.855 -1.153 . . . . 0.0 109.81 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.593 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.95 -153.31 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.413 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -94.7 -20.54 19.45 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.378 -0.826 . . . . 0.0 108.793 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.55 -2.85 56.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.506 -0.746 . . . . 0.0 109.641 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -14.06 66.04 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -67.45 164.27 19.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.963 -1.316 . . . . 0.0 109.175 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -87.11 149.03 24.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.094 -1.004 . . . . 0.0 110.222 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tp -137.73 142.52 40.99 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -130.96 97.89 4.44 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -92.17 137.13 32.62 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -156.45 138.22 14.26 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.734 -1.229 . . . . 0.0 110.622 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.16 112.6 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -81.15 -179.23 7.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.228 -0.92 . . . . 0.0 109.849 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -77.41 13.77 1.13 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.791 . . . . 0.0 109.885 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -96.36 -30.04 13.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.256 -0.903 . . . . 0.0 108.73 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 27.42 6.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -154.31 124.68 3.38 Favored Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.304 -1.115 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -39.8 155.91 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.105 1.87 . . . . 0.0 112.827 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -127.89 131.56 49.4 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.36 122.71 39.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.454 -0.779 . . . . 0.0 111.322 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.64 120.99 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -100.61 156.15 17.47 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.023 -1.048 . . . . 0.0 111.096 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.8 t -175.78 148.77 0.89 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -102.08 -30.37 11.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.198 -0.938 . . . . 0.0 108.715 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 9.6 mtmm -97.12 129.61 44.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.666 -0.646 . . . . 0.0 109.875 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD23 HH21 ' A' ' 11' ' ' ARG . 48.1 tp -71.49 -31.55 67.24 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.78 158.88 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.33 58.86 1.72 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.268 -0.895 . . . . 0.0 110.793 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.5 p -148.93 -28.14 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.32 -0.862 . . . . 0.0 108.731 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.43 -155.0 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.404 -0.81 . . . . 0.0 110.062 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -135.24 -162.47 1.26 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.265 -0.897 . . . . 0.0 109.078 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 50' ' ' VAL . 35.4 m -153.77 131.82 6.44 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 120.954 -1.091 . . . . 0.0 109.621 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -40.97 132.36 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.086 1.858 . . . . 0.0 112.587 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 141.88 23.98 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.384 -0.823 . . . . 0.0 109.594 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.44 -16.02 61.24 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -88.21 157.38 18.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -1.19 . . . . 0.0 109.44 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -78.94 162.24 26.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.372 -0.83 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.06 157.38 17.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -172.38 157.82 4.17 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 62' ' ' GLU . 7.3 pt -74.29 140.98 16.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.814 -1.179 . . . . 0.0 108.023 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.83 152.07 0.39 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.481 -0.762 . . . . 0.0 109.998 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -53.56 -39.6 64.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -55.29 -30.23 59.73 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.383 -0.823 . . . . 0.0 109.495 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HB3' HD12 ' A' ' 58' ' ' ILE . 42.5 mm-40 -79.13 -40.31 31.37 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 120.98 -1.075 . . . . 0.0 108.477 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.88 -51.99 62.02 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.513 ' CD1' HD22 ' A' ' 60' ' ' LEU . 10.4 mt -53.37 -47.78 57.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.27 -28.96 20.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.747 . . . . 0.0 110.045 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.2 -36.25 61.42 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.94 -1.1 . . . . 0.0 108.762 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.72 -35.8 72.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.614 -0.679 . . . . 0.0 110.1 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.069 -1.02 . . . . 0.0 109.643 -179.155 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.723 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -81.18 -169.1 2.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -87.76 18.9 3.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.527 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.506 HH11 ' HG2' ' A' ' 9' ' ' ARG . 3.7 mmt-85 -135.05 -88.27 0.36 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.424 -0.797 . . . . 0.0 109.63 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.98 8.2 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -82.66 -165.68 1.11 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.1 -1.235 . . . . 0.0 108.365 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -135.31 123.73 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.03 -1.044 . . . . 0.0 109.456 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.05 140.51 29.37 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.309 -0.87 . . . . 0.0 108.766 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' CG ' ' H ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -88.73 -154.66 0.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.996 -1.065 . . . . 0.0 109.277 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.514 ' H ' ' CG ' ' A' ' 14' ' ' LYS . 55.2 m -86.17 157.36 20.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.913 . . . . 0.0 108.954 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 15' ' ' THR . . . 74.84 -29.27 1.08 Allowed Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' A' ' 15' ' ' THR . 50.5 mt-10 -89.89 132.15 35.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.384 -1.068 . . . . 0.0 109.961 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 5.1 m -167.69 163.5 14.35 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.534 ' OE1' ' N ' ' A' ' 19' ' ' GLN . 6.5 mp0 -104.68 139.48 39.44 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.218 -0.926 . . . . 0.0 110.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -69.2 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -95.66 -19.5 19.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 0.0 109.121 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.15 -4.0 58.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -12.12 68.99 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -67.44 137.57 55.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -1.135 . . . . 0.0 108.952 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.69 146.82 41.99 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.072 -1.017 . . . . 0.0 109.161 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.81 142.14 29.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.149 -0.97 . . . . 0.0 109.038 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 49.8 t80 -110.54 104.44 13.16 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -97.78 132.39 43.44 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.485 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 27.4 p90 -155.9 127.46 7.28 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.055 -1.028 . . . . 0.0 109.475 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.61 135.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 33' ' ' PHE . 12.7 p30 -80.55 164.64 22.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.41 -0.806 . . . . 0.0 109.387 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 t -63.69 6.56 0.15 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.783 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' H ' ' C ' ' A' ' 31' ' ' ASP . 27.9 m-85 -98.55 -28.5 13.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 108.697 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.49 35.01 3.69 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -131.64 108.64 14.45 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.645 -0.914 . . . . 0.0 109.484 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -42.49 144.96 1.08 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.127 1.885 . . . . 0.0 112.201 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -131.71 113.45 13.58 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 110.025 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -93.12 141.85 27.95 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 122.07 0.938 . . . . 0.0 111.672 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -139.56 114.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.02 167.89 9.95 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-O 122.221 1.01 . . . . 0.0 112.16 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.5 170.85 1.02 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -114.81 -33.83 5.34 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.035 -1.041 . . . . 0.0 109.802 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.76 117.91 30.89 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.0 109.317 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.55 -28.54 69.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.861 -1.149 . . . . 0.0 108.086 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.7 m -138.43 144.8 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.76 66.77 0.06 Allowed 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.157 -0.964 . . . . 0.0 110.16 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.2 m -150.27 -34.13 0.17 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.28 -161.49 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.591 -0.693 . . . . 0.0 109.22 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -135.88 -160.52 1.06 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.211 -0.93 . . . . 0.0 109.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 50' ' ' VAL . 35.4 m -155.07 119.83 2.56 Favored Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -40.88 133.36 2.64 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.735 1.624 . . . . 0.0 112.381 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.33 156.62 0.57 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.537 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.96 -20.82 33.9 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -88.73 158.46 18.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.199 -1.177 . . . . 0.0 109.285 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 mmp_? -78.35 137.83 38.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.268 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.35 153.67 42.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.22 160.19 15.81 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.301 -0.874 . . . . 0.0 108.786 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.627 HD11 ' HG2' ' A' ' 63' ' ' LYS . 9.5 pt -70.78 -177.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' GLU . 7.6 t -86.68 146.91 26.11 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.947 -1.096 . . . . 0.0 109.512 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.45 -33.63 4.12 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.506 0.67 . . . . 0.0 109.29 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -64.63 -31.23 72.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.743 . . . . 0.0 109.45 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.615 ' HB3' HD12 ' A' ' 58' ' ' ILE . 45.5 mm-40 -76.03 -41.29 51.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.969 -1.082 . . . . 0.0 108.245 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.627 ' HG2' HD11 ' A' ' 58' ' ' ILE . 68.0 mttt -62.25 -51.44 67.71 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -49.72 -38.48 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.86 72.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.482 -0.761 . . . . 0.0 110.508 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.99 -32.59 67.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.062 -1.024 . . . . 0.0 109.328 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 67' ' ' LEU . 14.8 mt -67.32 -41.5 85.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 108.905 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.486 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -81.86 -177.31 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.009 . . . . 0.0 109.533 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.25 -1.33 5.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 109.817 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -106.86 -90.44 0.43 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -0.781 . . . . 0.0 109.142 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.7 16.91 0.09 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.418 ' NH1' HD23 ' A' ' 44' ' ' LEU . 54.7 mtm180 -84.88 -178.72 6.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -1.102 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -114.35 116.82 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' CD1' HE22 ' A' ' 19' ' ' GLN . 7.6 mt -86.27 141.24 29.41 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.15 169.18 12.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.74 -1.225 . . . . 0.0 109.855 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -53.27 159.0 1.44 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.314 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.7 -38.67 1.93 Allowed Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 18' ' ' SER . 40.4 mt-10 -91.48 145.06 24.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.387 -1.067 . . . . 0.0 109.878 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 14.6 m -166.83 -152.88 0.14 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.416 -0.802 . . . . 0.0 108.951 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.595 HE22 ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -146.87 171.57 15.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.047 -1.033 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -118.94 -162.49 0.91 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.68 -0.637 . . . . 0.0 109.297 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -71.6 -26.92 62.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.848 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -82.12 1.33 36.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 -5.35 50.93 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.615 ' NH2' ' CE2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -68.69 148.12 50.86 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.101 -1.235 . . . . 0.0 108.815 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -76.82 153.23 35.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.779 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 tp -143.86 121.83 12.07 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 47.1 t80 -102.84 104.01 14.24 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -100.3 133.99 43.91 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 33.1 p90 -156.94 135.27 11.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 0.0 110.113 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -72.44 118.99 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.522 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.7 m-20 -81.49 170.5 15.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.139 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.9 m -69.45 14.06 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.537 -0.727 . . . . 0.0 109.732 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.492 ' H ' ' C ' ' A' ' 31' ' ' ASP . 25.6 m-85 -96.95 -28.68 14.08 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.78 31.39 5.75 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -151.81 120.81 3.4 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -1.121 . . . . 0.0 109.267 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.41 151.83 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.05 1.833 . . . . 0.0 112.719 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -128.94 137.28 51.31 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -109.98 130.99 55.45 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.463 -0.773 . . . . 0.0 110.987 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.27 112.38 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -99.88 164.54 11.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.223 -0.923 . . . . 0.0 111.02 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -176.53 -172.49 0.46 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CE2' ' NH2' ' A' ' 24' ' ' ARG . 74.7 m95 -133.21 -42.95 0.87 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.232 -0.917 . . . . 0.0 109.555 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 11.7 mtpp -90.61 124.78 35.32 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.29 -0.881 . . . . 0.0 109.756 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.418 HD23 ' NH1' ' A' ' 11' ' ' ARG . 57.1 tp -65.75 -37.79 87.31 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -136.03 157.47 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 65.39 0.23 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.156 -0.965 . . . . 0.0 109.774 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' VAL . 12.1 m -151.72 -31.48 0.16 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 8.0 m-20 -69.59 -158.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 108.824 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.532 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.3 OUTLIER -134.63 -163.91 1.44 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.105 -0.997 . . . . 0.0 109.225 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.6 m -155.83 117.38 2.28 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.44 138.24 7.65 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.764 1.642 . . . . 0.0 112.436 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.93 156.71 1.94 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.699 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.3 52.86 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.7 mptt -87.83 157.31 19.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -1.15 . . . . 0.0 109.353 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -78.52 113.76 16.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.84 . . . . 0.0 109.335 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -50.37 155.65 0.99 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.205 -0.934 . . . . 0.0 109.374 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.25 168.11 3.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.117 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.565 HD11 ' HG2' ' A' ' 63' ' ' LYS . 8.3 pt -71.14 -153.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' GLU . 5.5 p -105.07 143.4 33.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.1 tp -46.93 -33.42 4.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -67.73 -29.79 69.12 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.511 -0.743 . . . . 0.0 109.247 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' SER . 29.5 mt-10 -77.36 -37.87 51.36 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HG2' HD11 ' A' ' 58' ' ' ILE . 63.5 mttt -65.09 -52.5 55.18 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.72 -40.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.26 64.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.618 -0.676 . . . . 0.0 110.288 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.93 -31.81 64.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.883 -1.136 . . . . 0.0 109.391 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.26 -28.53 67.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 109.323 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 0.0 109.06 179.767 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 121.296 0.569 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 20.2 p-10 -84.3 -172.49 4.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.416 -0.802 . . . . 0.0 109.722 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.692 HD22 ' NE2' ' A' ' 19' ' ' GLN . 10.4 p30 -90.1 4.07 51.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.381 -0.825 . . . . 0.0 109.682 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -104.47 -61.9 1.39 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.0 -2.78 0.07 OUTLIER Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.709 -1.234 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -161.39 0.35 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.912 -1.346 . . . . 0.0 108.594 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -130.43 122.04 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.252 -0.905 . . . . 0.0 109.437 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.88 135.81 33.54 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' GLY . 8.4 tptt -87.96 169.69 11.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 109.817 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.2 m -53.49 88.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.295 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 161.62 -54.57 0.32 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -87.78 142.27 27.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.125 -1.22 . . . . 0.0 110.028 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -145.57 -136.76 0.09 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.399 -0.813 . . . . 0.0 109.445 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.692 ' NE2' HD22 ' A' ' 8' ' ' ASN . 12.3 tt0 -160.07 150.48 18.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.146 -0.971 . . . . 0.0 109.691 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.518 HH11 ' CD2' ' A' ' 26' ' ' LEU . 5.7 tpt180 -108.01 -162.25 0.82 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.475 -0.765 . . . . 0.0 109.844 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -23.95 58.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.922 . . . . 0.0 109.094 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.03 0.58 35.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.041 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.64 -14.82 22.55 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -67.57 162.94 22.33 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.1 -1.235 . . . . 0.0 109.2 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -80.41 156.58 26.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 109.937 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' CD2' HH11 ' A' ' 20' ' ' ARG . 6.6 tp -136.69 116.91 13.49 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.622 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 31.5 t80 -109.29 98.07 7.56 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -96.52 134.09 40.16 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.622 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 34.9 p90 -156.42 147.51 22.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.044 -1.035 . . . . 0.0 110.132 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mm -78.53 130.57 36.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 33' ' ' PHE . 35.8 p30 -80.51 163.68 23.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.029 . . . . 0.0 109.82 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -64.38 5.57 0.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 109.906 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.5 m-85 -99.29 -29.35 12.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.25 -0.906 . . . . 0.0 108.632 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' OE2' ' A' ' 35' ' ' GLU . . . 106.54 33.61 3.31 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 34' ' ' GLY . 58.0 mm-40 -138.92 119.68 9.8 Favored Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.488 -1.007 . . . . 0.0 109.292 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.08 154.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.86 1.707 . . . . 0.0 112.382 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -137.9 117.7 13.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.36 -0.838 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -91.36 133.44 35.44 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.3 -0.875 . . . . 0.0 110.539 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.14 119.21 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.17 161.45 14.25 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.234 -0.916 . . . . 0.0 111.353 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.04 164.47 6.19 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -109.49 -35.43 6.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.185 -0.947 . . . . 0.0 109.184 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.0 mtmm -97.53 130.09 44.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.532 -0.73 . . . . 0.0 109.897 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.37 -35.26 77.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.38 155.97 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.05 67.51 0.65 Allowed 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.934 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -149.36 -37.83 0.16 Allowed 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.32 -162.25 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -132.06 -160.44 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.9 m -155.78 135.64 8.3 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.289 -0.882 . . . . 0.0 109.028 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 77.4 Cg_exo -42.56 144.13 1.37 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.822 1.681 . . . . 0.0 112.458 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.6 139.09 57.95 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.24 -0.913 . . . . 0.0 109.68 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.05 3.07 68.19 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 51' ' ' PRO . 2.2 mmpm? -88.29 157.89 18.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.037 -1.272 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -80.17 109.4 14.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.135 -0.978 . . . . 0.0 108.643 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -46.55 149.39 0.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -168.01 154.4 7.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 62' ' ' GLU . 7.3 pt -74.14 144.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 120.771 -1.205 . . . . 0.0 108.499 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 p -46.7 148.18 1.08 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -49.05 -49.15 42.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.1 -1.0 . . . . 0.0 108.901 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -49.18 -30.92 7.53 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.492 -0.755 . . . . 0.0 109.87 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB3' HD12 ' A' ' 58' ' ' ILE . 37.1 mm-40 -78.61 -31.78 47.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.708 -1.245 . . . . 0.0 107.985 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.0 mttm -68.54 -57.0 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mt -47.12 -43.12 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.06 66.04 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.37 -0.831 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -74.71 -34.58 62.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 0.0 109.665 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.21 -31.3 70.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.355 -0.841 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.852 . . . . 0.0 109.176 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' A' ' 6' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -82.81 -154.69 0.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.438 -0.789 . . . . 0.0 109.707 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -89.81 -12.93 37.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.268 -0.895 . . . . 0.0 109.837 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -103.78 -98.8 0.31 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.338 -0.851 . . . . 0.0 109.661 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.72 11.81 0.62 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 69.6 mtm180 -82.37 -164.4 0.83 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -1.136 . . . . 0.0 108.825 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -134.3 126.72 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.132 -0.98 . . . . 0.0 109.197 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.9 mt -89.31 133.06 34.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 109.174 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.33 157.95 17.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.125 -0.984 . . . . 0.0 109.471 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.0 m -48.25 111.87 0.51 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.95 -51.23 0.77 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -89.24 158.15 17.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.319 -1.106 . . . . 0.0 109.726 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -160.45 -148.88 0.17 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.318 -0.864 . . . . 0.0 109.655 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.562 HE22 ' C ' ' A' ' 24' ' ' ARG . 6.9 tp-100 -154.27 127.69 8.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.319 -0.863 . . . . 0.0 108.87 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.605 ' NH1' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -82.79 -154.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.217 -0.927 . . . . 0.0 109.616 -179.345 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.605 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -95.63 -19.43 19.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.308 -0.87 . . . . 0.0 109.691 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.37 3.38 21.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.288 -0.882 . . . . 0.0 110.222 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 86.81 -25.3 7.62 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.562 ' C ' HE22 ' A' ' 19' ' ' GLN . 10.1 ptp180 -69.4 156.59 38.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.348 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 69.8 m-85 -74.25 155.65 38.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.068 -1.02 . . . . 0.0 109.413 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 tp -132.97 116.78 16.84 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -117.68 108.45 15.43 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.634 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 ttmp? -101.84 143.66 31.47 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -156.17 135.28 12.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.012 . . . . 0.0 109.933 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.9 mm -70.95 119.71 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.253 -0.904 . . . . 0.0 108.998 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -83.2 173.2 11.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.251 -0.905 . . . . 0.0 110.067 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.9 m -77.95 15.57 0.86 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.415 -0.803 . . . . 0.0 109.548 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -95.44 -31.17 13.5 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.43 29.07 4.07 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -159.01 129.14 3.42 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.085 -1.244 . . . . 0.0 109.815 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -38.89 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.339 2.026 . . . . 0.0 112.997 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -136.18 122.28 20.27 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.541 -0.724 . . . . 0.0 109.055 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 8.2 m-85 -87.0 139.81 30.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.322 -0.861 . . . . 0.0 111.172 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 t -135.33 112.83 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -100.77 150.42 22.81 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -164.13 153.73 14.21 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -103.72 -29.08 11.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.332 -0.855 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -99.16 120.84 40.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.452 -0.78 . . . . 0.0 109.838 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HB3' HH12 ' A' ' 11' ' ' ARG . 31.5 tp -75.13 -16.26 60.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.58 154.61 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.92 56.39 0.97 Allowed 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.121 -0.987 . . . . 0.0 110.748 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 p -148.59 -26.05 0.32 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.304 -0.873 . . . . 0.0 109.173 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -67.95 -161.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.228 -0.92 . . . . 0.0 109.983 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -129.62 -157.6 0.83 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.382 -0.823 . . . . 0.0 109.031 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 50' ' ' VAL . 30.1 m -153.15 129.06 5.2 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.006 -1.059 . . . . 0.0 109.336 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -41.11 132.06 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.979 1.786 . . . . 0.0 112.503 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.84 137.08 26.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.323 -0.861 . . . . 0.0 109.585 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.84 51.2 Favored Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -87.23 155.76 19.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 109.418 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -80.42 140.89 35.77 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 156.58 39.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.239 -0.913 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.74 158.76 15.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.266 -0.896 . . . . 0.0 108.981 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 62' ' ' GLU . 11.8 pt -72.17 159.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -60.4 159.22 10.53 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.068 -1.053 . . . . 0.0 108.717 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -60.98 -31.56 71.14 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -57.51 -34.27 68.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 58' ' ' ILE . 71.3 mm-40 -76.37 -48.92 18.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 108.402 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -55.73 -40.02 71.9 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.491 ' CD1' HD22 ' A' ' 60' ' ' LEU . 5.6 mt -68.09 -31.02 50.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.89 84.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.842 . . . . 0.0 111.089 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -74.62 -28.29 60.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.79 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.92 -40.17 94.65 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.78 -1.2 . . . . 0.0 108.24 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 C--N 1.304 -1.38 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.674 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.727 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.302 0.572 . . . . 0.0 109.572 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -83.59 -168.27 2.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.326 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.38 26.08 1.3 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.401 -0.812 . . . . 0.0 109.26 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -134.59 -96.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.459 -0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.71 1.28 0.1 OUTLIER Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 -172.45 4.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.013 -1.286 . . . . 0.0 108.258 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mm -125.86 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.419 -0.801 . . . . 0.0 109.093 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -86.08 133.67 33.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.223 -0.923 . . . . 0.0 108.819 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HZ3' ' HA ' ' A' ' 14' ' ' LYS . 2.0 tptp -89.05 170.86 10.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.18 -0.95 . . . . 0.0 109.428 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.9 m -49.98 149.13 2.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.78 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.79 -33.15 3.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -90.73 146.37 24.04 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.119 -1.224 . . . . 0.0 109.981 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p -173.62 155.75 2.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.416 -0.803 . . . . 0.0 109.104 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -98.08 141.25 31.25 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.08 -1.012 . . . . 0.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 20' ' ' ARG . 12.4 ttt-85 -86.42 164.96 16.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.479 -0.763 . . . . 0.0 109.988 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 13.2 mtpt -54.51 -20.64 8.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.491 -0.756 . . . . 0.0 109.884 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -81.56 -0.52 42.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 0.0 110.117 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.83 -23.79 9.97 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -67.06 158.07 31.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -1.223 . . . . 0.0 109.154 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -77.33 153.76 33.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.376 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 tt -142.56 136.37 29.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 109.461 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.8 113.03 14.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.503 -0.748 . . . . 0.0 109.149 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -100.36 139.37 36.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 35.0 p90 -156.09 138.17 14.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.896 -1.127 . . . . 0.0 109.958 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.14 124.99 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.558 -0.714 . . . . 0.0 109.598 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -82.45 -169.83 2.64 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 109.595 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -80.14 9.67 5.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.0 109.839 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -99.12 -30.91 12.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 108.708 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.52 11.15 31.76 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -118.88 118.01 33.4 Favored Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.612 -0.934 . . . . 0.0 108.954 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.8 150.01 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.865 1.71 . . . . 0.0 112.641 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.51 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 7.1 tt0 -129.34 118.0 21.54 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -84.74 148.88 26.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.341 -0.849 . . . . 0.0 111.24 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.85 130.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.18 150.54 27.1 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.185 -0.947 . . . . 0.0 111.452 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.21 148.05 3.89 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -104.21 -32.62 9.04 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.068 -1.02 . . . . 0.0 109.182 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.53 119.88 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.291 -0.88 . . . . 0.0 109.974 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -69.6 -23.69 63.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.027 -1.046 . . . . 0.0 108.479 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.0 m -143.77 152.13 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.43 65.23 0.43 Allowed 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.119 -0.988 . . . . 0.0 109.814 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 5.4 m -151.47 -33.37 0.15 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.01 -162.84 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.474 -0.767 . . . . 0.0 109.54 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -136.34 -164.14 1.52 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.304 -0.873 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 50' ' ' VAL . 27.8 m -156.18 119.47 2.32 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.412 -0.805 . . . . 0.0 109.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.47 142.84 1.71 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 121.712 1.608 . . . . 0.0 112.43 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.46 162.88 0.7 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.89 -16.39 32.42 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -86.82 158.62 19.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -1.181 . . . . 0.0 109.44 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' A' ' 55' ' ' ARG . 19.1 mmt-85 -79.13 115.47 18.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 0.0 108.941 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -48.16 144.36 3.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.22 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.82 160.33 28.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.172 -0.955 . . . . 0.0 109.695 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.569 HD12 ' CB ' ' A' ' 62' ' ' GLU . 7.4 pt -72.34 -151.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.3 p -105.22 149.14 26.22 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 64' ' ' ILE . 23.0 tp -48.28 -38.94 20.05 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.507 -0.746 . . . . 0.0 109.432 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -62.88 -32.71 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.82 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.569 ' CB ' HD12 ' A' ' 58' ' ' ILE . 8.5 mm-40 -74.31 -35.31 63.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.596 -1.315 . . . . 0.0 107.848 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HG2' HD11 ' A' ' 58' ' ' ILE . 62.2 mttt -68.94 -60.75 2.15 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.469 HD12 ' HG ' ' A' ' 60' ' ' LEU . 4.5 mt -45.24 -42.24 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.87 69.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.578 -0.701 . . . . 0.0 110.471 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -72.35 -32.06 66.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.028 -1.045 . . . . 0.0 109.513 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.17 -35.69 78.44 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.416 -0.803 . . . . 0.0 109.045 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.384 -0.822 . . . . 0.0 109.26 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 121.314 0.578 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -82.53 -165.94 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.345 -0.847 . . . . 0.0 109.457 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -77.54 -5.47 50.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.137 -0.977 . . . . 0.0 110.072 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -104.34 -101.02 0.31 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 109.387 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.12 11.97 0.19 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -84.4 -170.44 3.1 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.309 -1.112 . . . . 0.0 108.933 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -126.46 100.68 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.428 -0.795 . . . . 0.0 109.935 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.622 ' H ' ' CD2' ' A' ' 13' ' ' LEU . 1.4 pt? -85.35 162.97 18.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -89.0 163.18 15.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.688 -1.257 . . . . 0.0 110.556 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.5 m -48.87 -52.79 22.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.547 -0.72 . . . . 0.0 109.776 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.37 -34.19 3.36 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.8 159.69 19.03 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.442 -1.034 . . . . 0.0 109.729 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -167.49 179.48 4.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.332 -0.855 . . . . 0.0 109.668 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -134.98 143.5 46.87 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 15.6 ptm180 -109.03 -166.85 1.15 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.416 -0.803 . . . . 0.0 110.738 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.6 mtpm? -64.53 -23.12 67.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.533 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' ARG . 30.3 m-20 -81.09 -0.91 42.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 109.551 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 -13.29 3.63 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 22' ' ' ASP . 4.4 ptm180 -70.51 147.3 49.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.327 -1.102 . . . . 0.0 109.951 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -81.09 147.52 30.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.436 -0.79 . . . . 0.0 108.996 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 pp -146.4 135.08 22.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -0.856 . . . . 0.0 108.894 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.626 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 37.5 t80 -102.13 103.97 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -102.19 133.98 46.18 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 29.5 p90 -154.93 152.66 29.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 110.524 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mm -80.78 108.05 13.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -81.46 167.82 18.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.166 -0.959 . . . . 0.0 109.788 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.05 20.97 0.08 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 0.0 109.878 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 31' ' ' ASP . 35.3 m-85 -95.36 -39.85 9.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 108.937 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' OE2' ' A' ' 35' ' ' GLU . . . 125.82 15.31 2.93 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE2' ' N ' ' A' ' 34' ' ' GLY . 2.0 pm0 -160.61 137.74 6.74 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 120.821 -1.399 . . . . 0.0 110.132 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.79 165.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.415 2.077 . . . . 0.0 113.005 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -138.58 125.14 20.69 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -93.92 134.78 35.94 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.934 0.873 . . . . 0.0 112.27 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.7 t -135.41 109.96 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -99.24 169.07 9.63 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.002 -1.061 . . . . 0.0 112.141 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.33 -151.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -149.65 -32.94 0.2 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.847 -1.158 . . . . 0.0 108.441 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 13.2 mtpp -99.53 127.82 45.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.532 -0.73 . . . . 0.0 110.072 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.3 -32.33 66.48 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -139.86 156.78 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' OG ' ' A' ' 59' ' ' SER . . . -70.17 67.74 0.31 Allowed 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.89 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' VAL . 17.6 m -152.12 -35.3 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 10.2 m-20 -67.44 -160.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.655 . . . . 0.0 109.474 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -135.05 -155.72 0.67 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.207 -0.933 . . . . 0.0 109.4 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.1 m -152.8 122.52 3.35 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.195 -0.941 . . . . 0.0 108.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -44.81 135.52 10.04 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.565 1.51 . . . . 0.0 112.161 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.54 144.5 10.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.416 -0.802 . . . . 0.0 109.67 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.89 -18.2 57.93 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 1.3 mptm? -87.21 161.16 18.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -1.168 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -80.04 134.11 36.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.322 -0.861 . . . . 0.0 109.381 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -63.47 149.91 44.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.12 -0.987 . . . . 0.0 109.259 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.39 164.62 19.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.103 -0.998 . . . . 0.0 109.641 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 62' ' ' GLU . 4.0 pt -72.23 -144.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -111.81 144.78 40.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.459 -0.775 . . . . 0.0 108.987 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 tp -52.26 -12.4 0.25 Allowed 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 59' ' ' SER . 9.2 mmt180 -80.93 -36.28 31.26 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -74.67 -42.93 57.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -57.3 -43.09 82.9 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.06 -50.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -26.13 38.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.492 -0.755 . . . . 0.0 110.442 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -73.22 -32.22 64.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.081 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.6 -46.87 71.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.129 -0.982 . . . . 0.0 108.821 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.782 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 10' ' ' GLY . 12.3 mtm180 . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 5.5 p-10 -84.19 -147.09 0.09 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 110.573 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.611 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 88.9 m-20 -89.98 -12.9 37.32 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.71 -0.619 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.607 ' H ' ' CG ' ' A' ' 7' ' ' ASP . 21.6 mmt180 -104.92 -96.99 0.33 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.395 -0.815 . . . . 0.0 109.553 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.525 ' O ' ' NH1' ' A' ' 6' ' ' ARG . . . -157.4 13.49 0.29 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HE ' HD23 ' A' ' 44' ' ' LEU . 1.3 ptm180 -84.34 168.67 15.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.154 -1.203 . . . . 0.0 109.278 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mm -102.68 124.86 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.19 -0.944 . . . . 0.0 109.887 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 mt -88.64 140.13 29.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 108.42 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -88.93 156.36 18.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.122 -0.987 . . . . 0.0 109.067 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -51.92 123.77 11.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.133 -0.979 . . . . 0.0 109.068 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.81 -27.63 10.2 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -91.01 158.0 16.94 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.354 -1.086 . . . . 0.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p -176.9 -164.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.611 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 2.6 pt20 -142.69 128.02 18.82 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.222 -0.923 . . . . 0.0 109.371 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HE ' ' H ' ' A' ' 21' ' ' LYS . 12.0 ttp180 -69.45 -149.5 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 109.443 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' H ' ' HE ' ' A' ' 20' ' ' ARG . 2.8 mtpm? -91.31 -22.02 20.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.318 -0.864 . . . . 0.0 109.825 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.49 -1.24 45.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.215 -0.928 . . . . 0.0 109.943 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.33 -14.64 57.25 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -67.79 143.16 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -1.19 . . . . 0.0 109.251 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -75.22 153.02 38.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.152 -0.967 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.679 HD12 ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -145.9 135.45 23.17 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.099 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.84 110.38 18.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.534 -0.729 . . . . 0.0 109.26 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -93.42 140.25 29.78 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.506 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 14.6 p90 -154.39 137.73 15.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 109.513 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -77.36 125.47 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.0 109.262 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -81.79 -166.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.918 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 p -79.72 -0.96 36.39 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.393 -0.817 . . . . 0.0 110.029 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -93.54 -30.15 15.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.263 -0.898 . . . . 0.0 109.117 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.71 35.14 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -109.29 115.23 56.76 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.648 -0.913 . . . . 0.0 109.551 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -43.49 135.41 6.61 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.944 1.762 . . . . 0.0 112.366 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 36.8 tt0 -116.55 133.42 56.03 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.578 -0.701 . . . . 0.0 109.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.28 147.89 23.31 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 122.035 0.921 . . . . 0.0 111.03 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.95 110.81 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.76 160.63 14.14 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.022 -1.049 . . . . 0.0 111.537 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.8 p -174.54 159.7 2.99 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -101.0 -36.35 9.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.073 -1.017 . . . . 0.0 109.769 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -92.1 145.6 24.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.078 -1.013 . . . . 0.0 110.419 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.581 HD23 ' HE ' ' A' ' 11' ' ' ARG . 28.3 tp -86.07 -25.27 25.95 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.6 m -145.8 150.13 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.67 66.71 0.74 Allowed 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.835 -1.165 . . . . 0.0 110.211 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.9 m -149.54 -32.46 0.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -65.79 -148.76 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -140.58 -163.05 1.45 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.016 -1.053 . . . . 0.0 109.542 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.6 m -156.15 123.08 2.67 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.424 -0.798 . . . . 0.0 109.141 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.86 137.34 4.35 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.806 1.67 . . . . 0.0 112.321 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.38 8.14 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.329 -0.857 . . . . 0.0 109.53 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.91 -16.95 57.24 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 4.0 mptt -87.25 151.56 23.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -1.126 . . . . 0.0 108.995 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.42 126.23 30.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.139 -0.976 . . . . 0.0 108.451 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -56.56 145.1 29.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.383 -0.823 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.93 158.52 40.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 62' ' ' GLU . 8.8 pt -73.57 168.85 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.22 155.07 41.01 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.974 -1.079 . . . . 0.0 108.441 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.45 -37.05 67.23 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.409 -0.917 . . . . 0.0 108.76 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -56.8 -31.08 64.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -179.396 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.596 ' HB3' HD12 ' A' ' 58' ' ' ILE . 43.8 mt-10 -74.77 -42.84 57.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.52 -1.363 . . . . 0.0 108.106 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ILE . 47.1 mttm -63.15 -63.52 1.17 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 60' ' ' LEU . 15.0 mt -38.61 -45.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 CA-C-O 121.314 0.578 . . . . 0.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.06 71.83 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.46 -28.56 61.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.806 -1.183 . . . . 0.0 109.564 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -35.68 80.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 109.06 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 64' ' ' ILE . 12.1 mp0 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 5.0 tpp180 . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -82.11 -157.82 0.22 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -0.921 . . . . 0.0 109.536 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -90.94 -8.73 48.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -105.23 -95.31 0.34 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.81 12.53 0.38 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' ' CD ' ' A' ' 6' ' ' ARG . 66.5 mtm180 -83.88 -162.86 0.69 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -1.127 . . . . 0.0 109.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -134.9 123.23 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.271 -0.893 . . . . 0.0 109.266 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD11 HE22 ' A' ' 19' ' ' GLN . 79.0 mt -88.61 148.99 23.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -0.929 . . . . 0.0 108.846 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.75 169.54 11.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.09 -1.006 . . . . 0.0 109.181 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.413 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 6.8 m -62.31 105.63 0.64 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.86 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.78 -39.06 1.61 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mp0 -89.36 144.28 26.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.238 -1.154 . . . . 0.0 110.254 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -160.33 -167.74 1.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.591 HE22 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -143.05 149.53 38.35 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.071 -1.018 . . . . 0.0 109.658 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -93.1 -151.15 0.29 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.881 . . . . 0.0 109.439 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -80.79 -21.38 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.301 -0.874 . . . . 0.0 109.669 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -80.59 -1.44 42.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.65 -15.56 13.69 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 120.069 -1.062 . . . . 0.0 110.484 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.53 160.79 26.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.863 -1.375 . . . . 0.0 108.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -82.99 153.32 25.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -0.905 . . . . 0.0 110.544 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -140.96 115.43 9.45 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CE2' ' CD2' ' A' ' 29' ' ' TYR . 31.3 t80 -104.0 101.73 11.5 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -95.46 133.4 39.47 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 20.7 p90 -155.48 137.68 14.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.898 -1.126 . . . . 0.0 109.963 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.9 mm -79.34 121.13 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.524 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -79.58 179.41 7.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.0 109.848 -179.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -68.56 8.63 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 31' ' ' ASP . 15.6 m-85 -99.87 -27.86 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.24 -0.32 54.16 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.28 116.05 61.98 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.467 -1.02 . . . . 0.0 109.408 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -43.1 157.98 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.764 1.643 . . . . 0.0 112.42 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -135.33 136.9 41.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.513 -0.742 . . . . 0.0 109.008 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -107.27 133.87 51.19 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.373 -0.829 . . . . 0.0 111.245 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.87 120.61 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -100.99 163.46 12.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.167 -0.958 . . . . 0.0 110.857 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.94 138.34 0.12 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -88.22 -36.57 16.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.022 -1.049 . . . . 0.0 108.369 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -92.89 135.44 34.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.709 -0.62 . . . . 0.0 109.72 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.408 HD23 ' NH1' ' A' ' 11' ' ' ARG . 45.9 tp -85.0 -25.19 27.87 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.082 -1.011 . . . . 0.0 108.598 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 47' ' ' THR . 2.0 m -142.11 148.91 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.59 63.06 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.228 -0.92 . . . . 0.0 110.684 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 ' CG2' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.78 -31.5 0.16 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.99 -162.41 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.752 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -139.08 -160.1 1.03 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.279 -0.888 . . . . 0.0 109.224 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 50' ' ' VAL . 35.3 m -154.08 131.13 5.93 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -38.15 131.42 0.93 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.904 1.736 . . . . 0.0 112.284 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.29 145.83 4.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.614 -0.679 . . . . 0.0 109.765 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 -23.5 33.69 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.54 157.08 19.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.058 -1.26 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -78.28 137.46 38.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.349 -0.844 . . . . 0.0 109.732 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.45 160.93 29.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.239 -0.913 . . . . 0.0 109.11 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 155.69 16.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 108.983 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.689 HD12 ' HB3' ' A' ' 62' ' ' GLU . 12.8 pt -70.93 141.98 16.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -51.61 153.0 2.49 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.53 -179.176 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 64' ' ' ILE . 3.0 tt -49.36 -42.52 42.25 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.929 -0.482 . . . . 0.0 110.022 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -52.0 -30.19 24.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 110.482 -179.147 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.689 ' HB3' HD12 ' A' ' 58' ' ' ILE . 12.6 mm-40 -75.29 -38.11 60.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.548 -1.345 . . . . 0.0 108.565 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HG2' HD11 ' A' ' 58' ' ' ILE . 76.7 mttt -69.96 -41.84 73.97 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 60' ' ' LEU . 1.3 mt -63.15 -45.39 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.9 -27.43 42.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.48 -0.763 . . . . 0.0 110.106 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -73.1 -34.82 66.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.93 -1.107 . . . . 0.0 108.495 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.98 -42.56 76.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.207 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 . . . . . 0 N--CA 1.499 2.018 0 CA-C-O 121.281 0.562 . . . . 0.0 109.68 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 9' ' ' ARG . 42.5 p-10 -82.99 -166.37 1.32 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 109.709 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.687 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -73.54 17.1 0.16 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 109.673 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 7' ' ' ASP . 3.6 mmp_? -133.99 -101.62 0.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.345 -0.847 . . . . 0.0 109.305 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.26 11.45 0.89 Allowed Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' CB ' ' A' ' 44' ' ' LEU . 5.7 mtp180 -83.6 161.98 20.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -1.064 . . . . 0.0 109.14 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.66 120.16 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.303 -0.873 . . . . 0.0 110.238 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.22 142.1 28.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.291 -0.88 . . . . 0.0 108.67 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -89.44 151.77 21.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.471 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -48.61 104.79 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.132 -0.98 . . . . 0.0 109.457 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.99 -44.9 0.83 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -90.91 152.43 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.428 -1.043 . . . . 0.0 109.436 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -160.73 -164.83 1.27 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.889 . . . . 0.0 109.532 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.56 HE22 ' CG ' ' A' ' 8' ' ' ASN . 30.0 tt0 -147.44 126.35 12.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.274 -0.891 . . . . 0.0 109.442 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.04 -163.71 0.52 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.305 -0.872 . . . . 0.0 109.98 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -78.74 -18.11 54.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.545 -0.722 . . . . 0.0 109.792 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 9.6 m-20 -80.35 -6.65 58.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.15 -0.969 . . . . 0.0 109.919 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.44 -23.2 23.27 Favored Glycine 0 N--CA 1.496 2.653 0 C-N-CA 120.139 -1.029 . . . . 0.0 110.799 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NH1' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -67.93 153.7 43.17 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.753 -1.439 . . . . 0.0 108.879 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -79.47 159.02 27.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.306 -0.871 . . . . 0.0 109.495 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -142.47 118.28 10.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.441 -0.787 . . . . 0.0 109.033 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 48.2 t80 -104.51 103.92 13.69 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -99.41 134.13 42.72 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 43.3 p90 -156.83 148.09 22.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.98 -1.075 . . . . 0.0 110.341 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.65 116.37 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 33' ' ' PHE . 10.1 p30 -79.86 173.81 12.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.199 -0.938 . . . . 0.0 109.644 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.1 m -68.63 13.62 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.307 -0.871 . . . . 0.0 110.114 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.7 m-85 -98.87 -31.68 11.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 0.0 108.813 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.05 26.62 6.94 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -143.56 118.79 6.28 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.502 -0.999 . . . . 0.0 108.684 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -42.35 154.61 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.81 1.673 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.1 tt0 -130.49 135.0 47.52 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -100.88 134.84 43.26 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.69 0.757 . . . . 0.0 111.247 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.4 t -136.98 115.84 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -102.2 160.71 14.29 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.202 -0.936 . . . . 0.0 111.45 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -170.38 160.8 7.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 77.7 m95 -106.52 -29.63 9.55 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.116 -0.99 . . . . 0.0 108.746 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -101.34 138.46 38.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.52 -0.737 . . . . 0.0 110.04 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CB ' ' NH2' ' A' ' 11' ' ' ARG . 34.0 tp -84.7 -23.72 29.25 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -145.03 157.33 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 61.35 0.92 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.055 -1.028 . . . . 0.0 111.003 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 p -147.04 -33.39 0.29 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -67.79 -169.12 0.11 Allowed 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.447 -0.783 . . . . 0.0 108.933 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.3 -160.63 1.08 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.197 -0.939 . . . . 0.0 109.303 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 50' ' ' VAL . 23.9 m -153.5 134.54 8.35 Favored Pre-proline 0 N--CA 1.496 1.825 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -37.51 148.9 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.843 1.696 . . . . 0.0 112.926 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.1 127.1 29.72 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.949 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.14 -5.02 41.56 Favored Glycine 0 N--CA 1.501 3.027 0 O-C-N 121.216 -0.928 . . . . 0.0 110.788 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.617 ' NZ ' ' CE2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -85.92 164.06 17.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.852 -1.381 . . . . 0.0 108.874 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -79.12 112.78 16.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.003 -1.06 . . . . 0.0 108.388 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.52 159.13 6.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 0.0 110.296 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.72 164.27 8.05 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.575 HD12 ' CB ' ' A' ' 62' ' ' GLU . 8.7 pt -70.63 -163.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 p -96.77 156.02 16.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.04 -39.94 60.35 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -60.12 -31.3 69.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.87 . . . . 0.0 110.322 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.575 ' CB ' HD12 ' A' ' 58' ' ' ILE . 30.1 mt-10 -75.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.478 -1.389 . . . . 0.0 108.318 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HG2' HD11 ' A' ' 58' ' ' ILE . 63.8 mttt -66.23 -52.52 46.94 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mt -52.04 -40.38 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.61 -35.29 63.25 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.64 -34.48 67.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.015 -1.053 . . . . 0.0 109.25 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 18.5 mt -69.95 -21.75 63.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.51 -0.744 . . . . 0.0 109.159 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.433 -0.792 . . . . 0.0 109.116 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HG2' HD13 ' A' ' 12' ' ' ILE . 12.0 mtt180 . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 25.6 p-10 -82.72 -155.5 0.16 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.116 -0.99 . . . . 0.0 109.655 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.688 ' N ' HE22 ' A' ' 19' ' ' GLN . 13.1 m120 -77.69 -6.3 53.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.378 -0.826 . . . . 0.0 109.495 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -107.29 -110.87 0.3 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.404 -0.81 . . . . 0.0 109.09 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.12 7.55 1.19 Allowed Glycine 0 N--CA 1.497 2.726 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.593 ' NH2' HD23 ' A' ' 44' ' ' LEU . 11.7 ptm180 -86.42 151.07 23.84 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.638 -0.919 . . . . 0.0 109.604 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 ' HG2' ' A' ' 6' ' ' ARG . 5.5 mm -87.32 135.62 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.268 -0.895 . . . . 0.0 110.767 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.96 166.26 13.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -90.08 149.53 22.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.969 -1.082 . . . . 0.0 108.795 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -45.33 150.7 0.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.044 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.01 -36.22 3.42 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -88.22 156.45 19.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.251 -1.147 . . . . 0.0 110.239 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 p -173.01 -164.14 0.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.688 HE22 ' N ' ' A' ' 8' ' ' ASN . 3.9 pt20 -141.13 138.32 33.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.114 -0.991 . . . . 0.0 108.928 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 13.8 ttp180 -77.99 -151.08 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.949 . . . . 0.0 109.787 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -89.72 -20.66 23.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.444 -0.785 . . . . 0.0 109.834 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 20' ' ' ARG . 4.4 m-20 -80.55 3.54 21.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 110.173 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.42 -16.5 18.01 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -68.46 156.22 38.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -1.196 . . . . 0.0 109.14 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -77.23 152.75 34.57 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 tp -141.58 130.73 23.39 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.4 t80 -131.99 95.14 3.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.576 -0.702 . . . . 0.0 109.124 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -101.48 140.2 36.1 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 55.6 p90 -153.45 152.38 30.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.852 -1.155 . . . . 0.0 110.315 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mm -77.76 119.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 10.2 p-10 -80.25 38.06 0.4 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.201 -0.937 . . . . 0.0 110.24 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 57.3 3.69 0.17 Allowed 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.728 -0.608 . . . . 0.0 110.502 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.438 ' H ' ' C ' ' A' ' 31' ' ' ASP . 14.8 m-85 -97.1 -29.82 13.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.111 -0.993 . . . . 0.0 108.725 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.86 32.8 1.98 Allowed Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -157.55 109.76 1.83 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.392 -1.064 . . . . 0.0 108.812 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -42.73 158.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.091 1.861 . . . . 0.0 113.005 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -130.15 98.54 4.77 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -72.17 142.86 49.07 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.989 0.9 . . . . 0.0 112.026 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.19 119.71 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -103.16 142.27 34.43 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.052 -1.03 . . . . 0.0 111.308 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -163.39 162.11 24.73 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -109.5 -35.57 6.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.108 -0.995 . . . . 0.0 108.666 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.7 mtmt -96.37 127.92 42.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 110.105 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.593 HD23 ' NH2' ' A' ' 11' ' ' ARG . 43.7 tp -74.99 -17.23 60.56 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -145.1 153.03 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' ' 59' ' ' SER . . . -76.32 63.56 1.96 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.182 -0.949 . . . . 0.0 109.492 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -150.3 -34.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -163.28 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.429 -0.794 . . . . 0.0 109.3 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -128.72 -161.12 1.08 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.363 -0.836 . . . . 0.0 109.483 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 50' ' ' VAL . 29.7 m -156.86 121.75 2.38 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.449 -0.782 . . . . 0.0 109.222 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -43.53 143.47 2.55 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.842 1.694 . . . . 0.0 112.507 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.18 154.79 7.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.472 -0.767 . . . . 0.0 109.682 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.06 -15.29 56.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.2 mptt -87.47 153.08 21.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.115 -1.226 . . . . 0.0 109.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -80.7 146.54 31.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 108.735 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -75.69 158.9 31.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.17 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -175.27 153.93 1.64 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 62' ' ' GLU . 5.7 pt -72.37 153.82 7.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 O-C-N 120.808 -1.183 . . . . 0.0 108.064 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.431 ' HB3' ' N ' ' A' ' 46' ' ' ALA . 8.7 p -48.15 170.16 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.186 -0.946 . . . . 0.0 110.096 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.569 ' HG ' HD12 ' A' ' 64' ' ' ILE . 18.9 tp -68.6 -42.94 77.44 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.33 -0.856 . . . . 0.0 109.704 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 58' ' ' ILE . 10.2 mm-40 -76.7 -41.91 43.52 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 120.644 -1.285 . . . . 0.0 107.814 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -66.33 -62.33 1.53 Allowed 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.569 HD12 ' HG ' ' A' ' 60' ' ' LEU . 2.4 mt -42.49 -42.73 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.18 -40.19 67.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.21 -0.931 . . . . 0.0 110.321 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -73.95 -35.63 64.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.941 -1.1 . . . . 0.0 109.512 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.4 -30.0 69.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.487 1.425 0 O-C-N 121.197 -0.94 . . . . 0.0 108.532 179.36 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 121.314 0.578 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 15.1 p-10 -81.76 176.45 9.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.315 -0.866 . . . . 0.0 109.396 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.484 ' ND2' ' OE1' ' A' ' 19' ' ' GLN . 58.7 m-20 -73.65 33.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.208 -0.932 . . . . 0.0 109.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 7' ' ' ASP . 6.6 mmt180 -135.3 -56.92 0.8 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.397 -0.814 . . . . 0.0 109.291 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.51 -0.15 0.18 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -81.47 -164.84 0.83 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.288 . . . . 0.0 109.391 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mm -126.06 121.75 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.447 -0.783 . . . . 0.0 109.742 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 mt -90.39 139.52 30.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.16 -0.963 . . . . 0.0 108.867 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' THR . 11.8 mmtp -89.06 164.86 14.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.107 -0.996 . . . . 0.0 108.935 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 17' ' ' GLU . 2.7 t -48.83 172.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.983 -1.073 . . . . 0.0 108.87 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.76 -42.2 0.34 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 15' ' ' THR . 52.3 mt-10 -91.18 148.65 22.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -1.148 . . . . 0.0 109.778 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -165.36 -138.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.847 . . . . 0.0 109.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.484 ' OE1' ' ND2' ' A' ' 8' ' ' ASN . 3.4 tt0 -157.76 132.54 8.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.0 109.695 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.541 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 7.2 ttp180 -75.6 -152.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.828 0.823 . . . . 0.0 110.453 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.6 mtpm? -95.56 -25.06 16.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.772 -0.58 . . . . 0.0 109.916 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.541 ' OD2' ' NH2' ' A' ' 20' ' ' ARG . 70.8 m-20 -82.6 10.98 6.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.197 -0.939 . . . . 0.0 109.904 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 82.27 -18.06 15.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -67.36 155.67 38.36 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.96 -1.318 . . . . 0.0 109.018 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -73.99 145.14 44.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.034 -1.041 . . . . 0.0 109.77 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -124.9 124.97 43.2 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 38.9 t80 -115.39 97.04 5.94 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -95.01 127.86 41.4 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 21.4 p90 -155.86 153.0 29.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 110.205 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mm -91.94 123.27 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.527 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -79.39 169.78 17.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.032 -1.043 . . . . 0.0 109.976 -179.348 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -65.57 8.37 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.539 -0.726 . . . . 0.0 110.159 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.6 m-85 -98.08 -29.2 13.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.105 -0.997 . . . . 0.0 108.804 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 28.43 6.75 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -137.0 114.39 9.95 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -43.62 137.37 6.09 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.731 1.621 . . . . 0.0 112.267 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.527 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 7.5 tt0 -121.8 134.37 54.91 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.576 -0.703 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.84 135.55 43.2 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.567 0.698 . . . . 0.0 110.903 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.58 112.07 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -101.43 153.44 19.68 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.197 -0.94 . . . . 0.0 111.362 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.34 169.27 14.24 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -113.87 -36.83 4.69 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.191 -0.943 . . . . 0.0 109.72 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -91.63 120.08 32.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.31 -33.38 75.83 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -137.84 157.14 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 66.14 0.35 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.771 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 9.2 m -152.43 -30.95 0.15 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -163.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.471 -0.768 . . . . 0.0 109.559 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -130.77 -172.07 2.72 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.483 -0.76 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 50' ' ' VAL . 28.3 m -156.61 134.18 6.88 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.289 -0.882 . . . . 0.0 109.563 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -40.01 133.73 1.88 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.827 1.684 . . . . 0.0 112.025 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -32.13 64.78 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.205 -0.935 . . . . 0.0 110.652 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.9 -7.73 86.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 3.9 mptt -92.09 162.44 14.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.076 -1.25 . . . . 0.0 109.282 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -79.29 117.07 19.94 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.435 -0.79 . . . . 0.0 109.86 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -54.9 151.16 9.01 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.247 -0.908 . . . . 0.0 108.949 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.05 167.4 18.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.144 -0.973 . . . . 0.0 109.358 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.59 HD11 ' HG2' ' A' ' 63' ' ' LYS . 10.0 pt -70.87 -162.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.8 p -100.25 145.13 28.46 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 27' ' ' TYR . 17.3 tp -45.89 -38.15 7.11 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -59.3 -30.86 68.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' CB ' HD12 ' A' ' 58' ' ' ILE . 61.1 mm-40 -77.36 -40.72 42.93 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.131 . . . . 0.0 108.556 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HG2' HD11 ' A' ' 58' ' ' ILE . 75.6 mttt -64.78 -40.62 95.55 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mt -61.21 -45.71 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.52 -26.81 55.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 110.282 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.97 -36.96 67.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.972 -1.08 . . . . 0.0 109.287 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.31 -27.19 65.16 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.433 -0.792 . . . . 0.0 109.371 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.456 -0.778 . . . . 0.0 110.325 -179.268 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.695 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 24.1 p-10 -82.41 -171.28 3.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.299 -0.875 . . . . 0.0 109.323 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -85.73 15.38 4.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.556 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.03 -88.04 0.55 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.527 -0.733 . . . . 0.0 109.45 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.18 -2.26 0.06 OUTLIER Glycine 0 N--CA 1.493 2.456 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -170.26 2.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.82 -1.4 . . . . 0.0 108.275 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mm -129.62 130.1 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.324 -0.86 . . . . 0.0 109.362 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.41 141.27 28.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 109.303 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -89.21 175.61 7.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.139 -0.976 . . . . 0.0 108.685 179.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -67.54 57.28 0.06 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.071 -1.018 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -169.26 -34.86 0.02 OUTLIER Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 18' ' ' SER . 49.3 mt-10 -90.73 150.86 21.46 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.379 -1.071 . . . . 0.0 110.102 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 6.0 m -166.99 -154.76 0.17 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' A' ' 19' ' ' GLN . 1.1 pm0 -155.31 155.58 33.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.982 -1.074 . . . . 0.0 110.081 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 2.5 mmp_? -90.87 -162.87 0.95 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.423 -0.798 . . . . 0.0 109.699 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -76.11 -21.12 57.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.571 -0.706 . . . . 0.0 109.764 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.03 -1.46 44.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.256 -0.903 . . . . 0.0 109.915 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.11 -9.98 64.79 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.41 157.12 34.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -1.199 . . . . 0.0 108.544 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -79.88 153.28 29.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.055 -1.028 . . . . 0.0 109.928 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -141.87 115.45 9.05 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -107.94 106.56 16.87 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -96.91 139.49 32.86 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.531 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 23.8 p90 -154.14 129.8 10.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.95 -1.094 . . . . 0.0 109.76 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.81 117.58 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.527 -0.733 . . . . 0.0 109.114 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 33' ' ' PHE . 8.2 p30 -80.14 171.39 15.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 t -66.7 11.11 0.1 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.419 -0.8 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 31' ' ' ASP . 32.3 m-85 -98.7 -29.51 12.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.768 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.35 30.39 5.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.82 116.97 5.36 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.415 -1.05 . . . . 0.0 109.127 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -42.33 137.81 3.46 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.87 1.713 . . . . 0.0 112.515 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.531 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 40.6 tt0 -113.71 142.63 45.79 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.54 -0.725 . . . . 0.0 109.147 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -101.22 134.22 44.6 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.283 -0.886 . . . . 0.0 111.267 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -133.12 118.79 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -102.57 162.47 12.9 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.088 -1.007 . . . . 0.0 111.94 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -177.54 154.06 0.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -106.99 -30.18 8.99 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.17 -0.956 . . . . 0.0 108.661 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -96.24 118.7 33.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.478 -0.764 . . . . 0.0 110.022 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.61 -22.74 66.7 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.13 158.41 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.207 -0.933 . . . . 0.0 108.762 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.6 60.56 2.17 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.383 -0.823 . . . . 0.0 111.01 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -144.99 -38.95 0.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -163.48 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -141.07 162.49 35.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.045 -1.035 . . . . 0.0 109.169 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 50' ' ' VAL . 27.8 m -83.66 130.3 56.31 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.662 -0.649 . . . . 0.0 109.441 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.26 138.39 1.26 Allowed 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.813 1.675 . . . . 0.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.98 137.46 21.17 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.247 -0.908 . . . . 0.0 109.503 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.25 -22.08 42.72 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.5 mptt -88.45 161.65 16.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.253 -1.145 . . . . 0.0 109.151 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.527 HH11 ' HG2' ' A' ' 55' ' ' ARG . 2.9 mtt-85 -80.85 177.34 9.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.799 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.55 158.73 18.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.883 . . . . 0.0 109.772 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.24 145.41 0.77 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 109.187 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.675 HD12 ' HB3' ' A' ' 62' ' ' GLU . 11.8 pt -72.77 152.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -52.12 156.75 1.52 Allowed 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.179 -0.951 . . . . 0.0 108.876 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -59.85 -36.96 77.94 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.181 -0.949 . . . . 0.0 108.584 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -55.59 -28.73 56.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.326 -0.859 . . . . 0.0 110.033 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.675 ' HB3' HD12 ' A' ' 58' ' ' ILE . 36.3 mt-10 -76.21 -44.66 36.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.556 -1.34 . . . . 0.0 108.128 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 58' ' ' ILE . 70.7 mttt -61.6 -59.02 5.84 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' ' 60' ' ' LEU . 11.5 mt -42.92 -44.45 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.414 0.626 . . . . 0.0 109.674 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.13 65.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.246 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -74.0 -38.41 64.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.85 -21.2 63.38 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.543 -0.723 . . . . 0.0 109.725 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.889 . . . . 0.0 110.467 -179.091 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 48.7 p-10 -81.7 -162.86 0.57 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.097 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -87.76 -10.29 51.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.617 -0.677 . . . . 0.0 109.53 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -102.07 -91.01 0.34 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.275 -0.891 . . . . 0.0 109.38 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.9 11.96 0.07 OUTLIER Glycine 0 N--CA 1.491 2.333 0 C-N-CA 118.871 -1.633 . . . . 0.0 111.199 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 10.1 ptp180 -83.8 -163.71 0.81 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.602 -1.528 . . . . 0.0 108.436 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mm -137.45 120.03 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.161 -0.962 . . . . 0.0 108.616 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.817 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.6 mp -87.46 163.83 16.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.032 -1.043 . . . . 0.0 108.678 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -90.96 162.01 14.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.111 -0.993 . . . . 0.0 108.793 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 16' ' ' GLY . 24.1 m -47.95 161.5 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.994 -1.066 . . . . 0.0 109.236 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' HG22 ' A' ' 15' ' ' THR . . . 87.65 -49.06 3.81 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' OE1' ' CD1' ' A' ' 27' ' ' TYR . 2.7 mm-40 -88.47 154.15 20.59 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.169 -1.195 . . . . 0.0 110.008 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 p 179.53 148.44 0.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.569 -0.707 . . . . 0.0 109.108 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -82.79 150.71 26.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.693 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.49 HH21 ' CG ' ' A' ' 22' ' ' ASP . 21.5 ttp180 -95.92 -141.35 0.27 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.27 -0.894 . . . . 0.0 109.58 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -94.03 -27.03 16.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.441 -0.787 . . . . 0.0 109.971 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.49 ' CG ' HH21 ' A' ' 20' ' ' ARG . 3.2 m-20 -83.49 10.47 8.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.166 -0.959 . . . . 0.0 109.946 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.53 -8.04 22.03 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -69.23 147.2 51.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -1.063 . . . . 0.0 109.687 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -76.47 132.61 39.71 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 177.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tt -123.9 139.58 53.82 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.45 -0.782 . . . . 0.0 109.548 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD1' ' OE1' ' A' ' 17' ' ' GLU . 22.9 t80 -134.45 103.7 5.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -92.79 138.09 31.8 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.442 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 30.8 p90 -156.37 127.44 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.877 -1.14 . . . . 0.0 110.171 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.31 119.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 33' ' ' PHE . 9.9 p30 -79.15 169.19 18.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.976 . . . . 0.0 109.917 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.28 8.1 0.17 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.873 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.505 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.9 m-85 -97.99 -28.87 13.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.5 31.92 5.35 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -139.85 114.79 7.9 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.997 . . . . 0.0 109.517 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.44 132.08 9.5 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.756 1.637 . . . . 0.0 112.119 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -114.91 146.79 40.77 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.595 -0.691 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -110.25 142.12 42.28 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.456 -0.778 . . . . 0.0 110.465 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 113.89 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -102.79 144.95 30.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.865 . . . . 0.0 110.775 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.45 154.19 9.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -97.02 -39.52 9.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.98 -1.075 . . . . 0.0 109.028 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -93.42 132.93 37.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.76 -0.588 . . . . 0.0 110.377 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 tp -77.87 -30.53 50.88 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.8 m -138.59 151.88 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.62 69.08 0.1 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.095 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 45' ' ' VAL . 29.2 m -148.59 -43.59 0.15 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -167.55 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -137.67 156.5 47.96 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.919 -1.113 . . . . 0.0 109.707 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.8 m -84.31 135.34 41.61 Favored Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.527 -0.733 . . . . 0.0 109.428 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -43.2 132.99 6.44 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.68 1.587 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.71 134.34 41.88 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.322 -0.861 . . . . 0.0 109.846 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.48 -16.96 56.12 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 110.019 -1.233 . . . . 0.0 110.019 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.4 mptt -88.79 171.25 10.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.139 -1.212 . . . . 0.0 109.683 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -77.79 166.51 22.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -85.47 149.17 25.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.38 -0.825 . . . . 0.0 109.426 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -167.21 153.48 8.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.858 . . . . 0.0 109.246 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.514 HD11 ' HG2' ' A' ' 63' ' ' LYS . 5.4 pt -71.21 -157.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -101.67 146.81 27.22 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.38 -47.84 18.71 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -54.13 -31.22 51.64 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.815 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HB3' HD12 ' A' ' 58' ' ' ILE . 14.9 mm-40 -77.32 -38.28 50.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.854 -1.154 . . . . 0.0 108.356 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HG2' HD11 ' A' ' 58' ' ' ILE . 77.7 mttt -64.21 -41.3 97.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.94 -41.03 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.08 62.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.525 -0.734 . . . . 0.0 109.94 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.35 -38.72 68.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.065 -1.022 . . . . 0.0 108.704 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.77 -24.42 64.42 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.869 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.655 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 121.373 0.606 . . . . 0.0 109.846 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -84.0 -161.75 0.57 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.328 -0.858 . . . . 0.0 109.506 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.667 ' N ' HE22 ' A' ' 19' ' ' GLN . 6.7 p30 -82.8 16.67 2.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 109.505 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -136.41 -104.22 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.386 -0.821 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.17 3.66 1.49 Allowed Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -83.72 150.01 26.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -1.11 . . . . 0.0 109.131 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -96.89 126.64 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.206 -0.934 . . . . 0.0 110.259 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.3 mt -92.15 147.21 23.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.284 -0.885 . . . . 0.0 108.935 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -90.01 156.29 18.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.04 -1.037 . . . . 0.0 108.868 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 m -47.64 147.78 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.002 -1.061 . . . . 0.0 109.364 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.08 -43.17 1.88 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 2.7 mp0 -91.56 155.59 18.26 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.253 -1.145 . . . . 0.0 109.934 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -168.41 -162.8 0.42 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.147 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.667 HE22 ' N ' ' A' ' 8' ' ' ASN . 3.5 pt20 -140.11 143.19 36.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.204 -0.935 . . . . 0.0 109.369 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.546 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.1 OUTLIER -85.43 -144.24 0.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.38 -0.825 . . . . 0.0 110.311 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -95.41 -23.15 17.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.724 -0.61 . . . . 0.0 109.68 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.92 0.32 44.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.909 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.53 -17.95 41.05 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -67.55 155.29 39.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.278 . . . . 0.0 109.081 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.19 147.91 36.19 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.221 -0.924 . . . . 0.0 109.821 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.57 115.71 12.47 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -105.56 107.91 19.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -100.99 138.39 38.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 34.5 p90 -155.0 142.15 19.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.907 -1.121 . . . . 0.0 109.984 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.0 mm -77.83 122.1 31.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.6 m-20 -77.56 171.39 14.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.942 . . . . 0.0 109.499 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.6 m -68.16 10.74 0.2 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -0.801 . . . . 0.0 109.817 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASP . 42.3 m-85 -100.05 -32.36 10.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.245 -0.91 . . . . 0.0 108.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 32.13 3.8 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.64 116.22 6.92 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.358 -1.083 . . . . 0.0 109.07 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -43.08 154.16 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.813 1.675 . . . . 0.0 112.159 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.7 tt0 -134.96 140.39 45.67 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.471 -0.768 . . . . 0.0 109.33 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -102.06 134.3 45.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.4 -0.812 . . . . 0.0 111.416 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.19 118.42 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 176.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -100.83 157.38 16.76 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.995 -1.066 . . . . 0.0 111.479 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 t -176.27 165.7 2.79 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -115.43 -32.39 5.61 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.227 -0.92 . . . . 0.0 108.959 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 58' ' ' ILE . 11.4 mtmm -95.26 131.11 41.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.522 -0.736 . . . . 0.0 110.266 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.08 -32.48 65.03 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.558 ' N ' ' OG ' ' A' ' 59' ' ' SER . 3.0 m -137.62 158.36 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.96 65.82 1.12 Allowed 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 m -150.02 -36.21 0.16 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.45 -161.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 49' ' ' ARG . 2.0 mmt-85 -136.03 -160.02 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 109.188 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 50' ' ' VAL . 28.8 m -156.91 118.03 2.11 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.43 144.1 5.06 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.86 1.707 . . . . 0.0 112.639 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.21 158.48 1.56 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.528 -0.733 . . . . 0.0 109.682 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -18.95 40.2 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.0 mptt -87.96 150.0 23.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.297 -1.119 . . . . 0.0 109.021 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -80.06 121.27 25.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.177 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -51.34 154.88 1.58 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.24 -0.912 . . . . 0.0 109.846 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -174.89 160.79 2.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.382 -0.824 . . . . 0.0 108.97 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.585 HD12 ' CB ' ' A' ' 62' ' ' GLU . 10.8 pt -72.43 -176.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.558 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -85.5 144.97 27.63 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.997 -1.065 . . . . 0.0 108.439 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD22 HD11 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -48.02 -35.47 11.1 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 0.0 108.781 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -56.36 -28.82 60.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.521 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.585 ' CB ' HD12 ' A' ' 58' ' ' ILE . 45.3 mm-40 -77.69 -48.51 16.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.888 -1.133 . . . . 0.0 108.712 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HG2' HD11 ' A' ' 58' ' ' ILE . 46.1 mttp -58.53 -45.28 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.515 HD11 HD22 ' A' ' 60' ' ' LEU . 9.9 mt -56.63 -43.33 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.61 -31.36 46.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.454 -0.779 . . . . 0.0 110.097 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -74.2 -38.32 63.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.041 -1.037 . . . . 0.0 109.276 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.89 -23.07 63.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.592 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 109.968 -179.386 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 23.4 p-10 -82.94 -171.37 3.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.211 -0.931 . . . . 0.0 109.733 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.565 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 19.8 m120 -64.0 -10.12 19.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 109.861 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -104.25 -97.36 0.32 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.312 -0.868 . . . . 0.0 109.463 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.68 14.9 0.24 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 51.4 mtm180 -82.74 -176.25 6.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 0.0 108.849 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -117.9 118.65 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.394 -0.816 . . . . 0.0 109.973 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -88.77 142.51 27.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -89.13 161.57 16.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.028 -1.045 . . . . 0.0 109.017 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 16' ' ' GLY . 25.9 m -47.75 161.23 0.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.995 -1.066 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' HG22 ' A' ' 15' ' ' THR . . . 77.4 -36.44 1.56 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 15' ' ' THR . 89.6 mt-10 -90.37 147.79 23.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.339 -1.095 . . . . 0.0 110.429 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t -166.71 -154.24 0.17 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.094 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.565 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 3.1 pt20 -144.36 134.32 23.95 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.947 -1.096 . . . . 0.0 110.263 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -83.69 154.81 23.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.235 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.2 mtpm? -43.67 -18.78 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.443 -0.786 . . . . 0.0 109.974 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' ARG . 87.9 m-20 -81.23 -2.48 48.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.849 . . . . 0.0 109.863 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.37 -21.52 12.97 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -67.9 159.51 30.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.097 -1.237 . . . . 0.0 109.029 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 58.6 m-85 -80.61 151.91 28.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.128 -0.983 . . . . 0.0 109.628 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.579 ' C ' HD23 ' A' ' 26' ' ' LEU . 6.2 tt -139.21 112.09 7.9 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -102.96 103.02 13.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.814 0.816 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -94.58 135.55 35.91 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 14.1 p90 -155.55 113.12 3.33 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -0.966 . . . . 0.0 109.397 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.2 140.84 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.519 -0.738 . . . . 0.0 109.152 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 33' ' ' PHE . 14.8 p30 -84.31 169.0 15.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.513 -0.742 . . . . 0.0 109.972 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 m -62.09 2.23 0.25 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 0.0 109.677 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 31' ' ' ASP . 41.9 m-85 -97.52 -31.69 12.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.68 11.65 22.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -100.66 107.82 50.63 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -44.98 122.53 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.061 1.841 . . . . 0.0 112.58 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -105.21 134.44 48.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.447 -0.783 . . . . 0.0 109.005 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.96 141.39 44.48 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-O 121.724 0.773 . . . . 0.0 111.234 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -137.85 119.26 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -102.1 160.38 14.56 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.074 -1.016 . . . . 0.0 110.997 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -176.35 165.16 2.71 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -114.12 -34.94 5.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.216 -0.927 . . . . 0.0 108.554 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 18.2 mtmt -94.04 130.47 40.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.544 -0.722 . . . . 0.0 109.744 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.38 -27.79 59.24 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -139.13 150.78 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.21 65.15 0.39 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.22 -0.925 . . . . 0.0 110.034 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.9 m -149.69 -35.0 0.17 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -66.48 -160.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -134.17 -170.23 2.48 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.157 -0.964 . . . . 0.0 109.39 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.2 m -155.94 135.8 8.34 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 121.33 -0.857 . . . . 0.0 109.141 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HG2' ' HZ3' ' A' ' 54' ' ' LYS . 91.4 Cg_exo -40.73 130.88 2.73 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 121.699 1.6 . . . . 0.0 111.834 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.44 58.16 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.196 -0.94 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.72 89.65 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HZ3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -92.36 168.71 11.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.006 -1.291 . . . . 0.0 109.931 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -79.0 143.63 35.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.641 -0.662 . . . . 0.0 109.31 -179.526 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.39 151.87 26.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 108.88 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -173.15 156.36 3.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.143 -0.973 . . . . 0.0 109.374 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.712 HD12 ' HB3' ' A' ' 62' ' ' GLU . 10.7 pt -73.83 145.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -49.28 146.86 3.45 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.178 -0.951 . . . . 0.0 109.483 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -50.63 -32.46 19.04 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.591 -0.693 . . . . 0.0 109.445 -179.305 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -56.6 -31.98 64.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.039 -1.038 . . . . 0.0 109.686 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.712 ' HB3' HD12 ' A' ' 58' ' ' ILE . 45.3 mm-40 -77.11 -46.12 24.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.997 -1.064 . . . . 0.0 108.654 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -59.02 -44.02 91.67 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 60' ' ' LEU . 12.9 mt -63.71 -40.74 90.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.98 -30.11 45.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.474 -0.766 . . . . 0.0 110.175 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -74.16 -40.37 62.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.997 -1.064 . . . . 0.0 109.008 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.55 -26.93 66.55 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 . . . . . 0 N--CA 1.497 1.917 0 CA-C-O 121.344 0.593 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD2' ' CZ ' ' A' ' 11' ' ' ARG . 21.7 p-10 -83.18 -157.78 0.25 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.604 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 34.8 m120 -87.51 19.09 3.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.21 -0.932 . . . . 0.0 110.15 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -135.13 -87.71 0.36 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.606 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.17 12.65 0.1 OUTLIER Glycine 0 N--CA 1.489 2.199 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.114 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' CZ ' ' OD2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -82.09 -171.4 3.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.312 . . . . 0.0 108.527 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -129.75 109.22 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.487 -0.758 . . . . 0.0 109.894 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.0 mt -88.86 131.97 34.87 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.262 -0.899 . . . . 0.0 108.652 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.16 172.21 9.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.06 -1.025 . . . . 0.0 109.068 -179.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 16' ' ' GLY . 85.6 m -47.86 157.44 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 109.639 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 15' ' ' THR . . . 77.09 -40.0 1.66 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 15' ' ' THR . 17.8 mp0 -88.51 132.03 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.121 -1.223 . . . . 0.0 109.521 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -156.98 -156.39 0.6 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.0 109.13 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.604 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 12.0 pt20 -153.71 146.64 24.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 22' ' ' ASP . 13.1 ttp180 -76.97 -149.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.707 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -95.19 -27.34 15.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.763 . . . . 0.0 109.754 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 20' ' ' ARG . 13.5 m-20 -83.81 15.88 3.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.226 -0.921 . . . . 0.0 109.608 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.05 4.91 86.72 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' CG ' ' CH2' ' A' ' 42' ' ' TRP . 93.7 mtt180 -68.76 126.28 29.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.419 -1.048 . . . . 0.0 109.796 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -74.54 135.94 42.15 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 26' ' ' LEU . 1.1 pp -140.9 152.08 44.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.028 . . . . 0.0 110.152 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -131.7 115.47 16.07 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -98.75 142.4 30.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.701 -0.624 . . . . 0.0 109.377 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 7.8 p90 -153.26 132.62 12.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.969 -1.082 . . . . 0.0 109.375 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mm -77.66 123.38 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.542 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 1.1 m-20 -77.62 -177.26 4.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.532 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -72.44 0.65 9.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 0.0 110.243 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -94.57 -26.91 16.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.282 -0.886 . . . . 0.0 109.239 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.05 17.48 22.65 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.83 111.47 41.1 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.719 -0.871 . . . . 0.0 109.566 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.74 146.72 2.13 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.932 1.755 . . . . 0.0 112.296 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.542 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 23.0 tt0 -129.48 132.16 46.86 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -97.27 150.48 20.89 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.112 -0.992 . . . . 0.0 111.732 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.37 101.72 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -96.54 169.86 9.61 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.087 -1.008 . . . . 0.0 111.83 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 1.1 p -173.85 -158.27 0.09 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.452 ' N ' ' OG ' ' A' ' 41' ' ' SER . 56.5 m95 -140.8 -32.68 0.56 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.928 -1.107 . . . . 0.0 108.894 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -98.77 130.96 45.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.368 -0.833 . . . . 0.0 110.366 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' C ' ' OG ' ' A' ' 59' ' ' SER . 59.2 tp -69.59 -39.78 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.4 m -135.56 157.17 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.88 66.83 0.1 Allowed 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' VAL . 42.5 m -150.59 -37.53 0.14 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.41 -160.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -140.7 -157.74 0.79 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.019 -1.051 . . . . 0.0 109.981 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 50' ' ' VAL . 23.7 m -154.09 123.86 3.27 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -39.8 128.98 1.98 Allowed 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.825 1.683 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 147.12 2.55 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.688 -0.632 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.33 -21.16 47.67 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -87.07 166.33 15.11 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -1.178 . . . . 0.0 109.795 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -78.79 147.36 33.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.388 -0.82 . . . . 0.0 109.491 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -83.75 159.7 21.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 109.804 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.37 162.42 2.89 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.569 HD12 ' CB ' ' A' ' 62' ' ' GLU . 9.5 pt -71.71 -165.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -95.6 140.79 29.93 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.5 tp -46.44 -22.1 0.23 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.421 -0.799 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.432 ' NH1' HD12 ' A' ' 64' ' ' ILE . 4.0 mmt-85 -72.29 -32.22 66.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.265 -0.897 . . . . 0.0 108.908 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.569 ' CB ' HD12 ' A' ' 58' ' ' ILE . 70.4 mt-10 -75.78 -38.86 57.88 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.213 -0.929 . . . . 0.0 108.648 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HG2' HD11 ' A' ' 58' ' ' ILE . 55.6 mttt -63.97 -44.26 93.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.432 HD12 ' NH1' ' A' ' 61' ' ' ARG . 30.9 mt -57.87 -42.87 83.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.98 60.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.575 -0.703 . . . . 0.0 110.258 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -71.9 -34.64 69.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 108.988 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -68.28 -35.82 78.44 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.335 -0.853 . . . . 0.0 109.256 179.653 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 25.7 p-10 -82.78 -162.18 0.56 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.799 . . . . 0.0 109.654 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -86.69 -6.36 58.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.282 -0.886 . . . . 0.0 109.647 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -107.64 -88.08 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.377 -0.827 . . . . 0.0 109.709 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.07 10.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 7' ' ' ASP . 28.6 mtm-85 -84.39 -174.58 5.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.015 -1.286 . . . . 0.0 108.789 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -122.26 120.33 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.315 -0.866 . . . . 0.0 109.902 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.8 mt -87.19 140.77 29.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' GLY . 27.7 mmtt -88.41 155.32 19.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.316 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.2 m -46.76 92.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.273 -0.892 . . . . 0.0 109.438 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 159.46 -50.29 0.39 Allowed Glycine 0 N--CA 1.486 1.987 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 11.3 mp0 -89.57 122.74 33.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -1.095 . . . . 0.0 109.888 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -152.6 122.45 6.97 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -60.94 157.37 15.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.122 -0.986 . . . . 0.0 110.003 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -108.24 -137.43 0.37 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.638 0.732 . . . . 0.0 110.348 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 4.2 mtpm? -89.14 -25.53 21.8 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.512 -0.743 . . . . 0.0 110.342 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . 52.0 m-20 -82.29 2.15 33.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.919 -1.113 . . . . 0.0 109.993 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -19.8 5.77 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' NE ' ' CB ' ' A' ' 22' ' ' ASP . 9.0 ptp180 -67.76 157.01 35.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.343 -1.093 . . . . 0.0 109.3 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -74.87 143.8 43.67 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.104 -0.998 . . . . 0.0 108.629 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.14 112.38 11.08 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.7 t80 -101.4 99.85 10.25 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.626 0.727 . . . . 0.0 109.3 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -97.15 134.35 40.59 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 30.4 p90 -154.25 138.93 16.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.819 -1.176 . . . . 0.0 110.221 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -74.81 127.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 33' ' ' PHE . 5.0 m-20 -79.51 168.87 18.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 109.548 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -62.8 5.52 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.331 -0.856 . . . . 0.0 110.269 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 31' ' ' ASP . 24.9 m-85 -100.24 -30.63 11.79 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.076 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.44 29.75 4.95 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 3.6 pt-20 -130.76 113.9 16.53 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.645 -0.915 . . . . 0.0 108.715 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -42.24 154.41 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.97 1.78 . . . . 0.0 112.204 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -134.5 132.15 38.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.478 -0.764 . . . . 0.0 109.615 -179.169 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.529 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 7.5 m-85 -101.81 126.1 48.62 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.324 -0.86 . . . . 0.0 111.531 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG23 ' NE2' ' A' ' 37' ' ' GLN . 98.9 t -128.48 118.74 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -102.02 159.46 15.34 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.56 156.74 1.19 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -106.62 -37.09 6.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.345 -0.847 . . . . 0.0 109.407 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.61 132.48 39.28 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.2 -33.34 63.39 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -137.43 149.89 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.82 65.49 0.09 Allowed 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.136 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' VAL . 4.7 m -151.19 -33.83 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.92 -158.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.456 -0.777 . . . . 0.0 109.093 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 50' ' ' VAL . 29.8 mmt180 -130.6 -163.76 1.35 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.175 -0.953 . . . . 0.0 109.246 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' VAL . 20.2 m -157.51 118.07 2.0 Allowed Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.251 -0.905 . . . . 0.0 109.218 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.28 141.81 3.02 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.926 1.751 . . . . 0.0 112.691 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.36 157.22 3.84 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.594 -0.691 . . . . 0.0 109.665 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -14.97 57.22 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.9 mptt -88.23 153.18 21.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -1.174 . . . . 0.0 109.388 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -81.18 116.21 20.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.362 -0.836 . . . . 0.0 109.387 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -50.42 151.7 2.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.117 -0.989 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.97 160.72 6.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.326 -0.859 . . . . 0.0 108.878 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 pt -73.57 142.96 14.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.221 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 p -47.83 149.47 1.3 Allowed 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.355 -0.841 . . . . 0.0 109.595 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -47.77 -53.35 15.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.056 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -45.27 -31.62 1.63 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 0.0 110.187 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.61 -29.46 45.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.698 -1.251 . . . . 0.0 108.125 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' LEU . 71.7 mttt -72.17 -45.75 59.15 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 7.0 mt -62.05 -39.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.53 66.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.93 -34.04 68.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.051 -1.03 . . . . 0.0 109.557 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.22 -41.0 94.85 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.454 -0.779 . . . . 0.0 109.626 179.655 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 6' ' ' ARG . 1.9 mtt-85 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 22.7 p-10 -83.48 -176.75 6.46 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.192 -0.942 . . . . 0.0 109.189 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -65.36 -6.82 11.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.155 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.33 -96.62 0.3 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.493 -0.755 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.33 16.85 0.11 Allowed Glycine 0 N--CA 1.492 2.413 0 C-N-CA 119.569 -1.3 . . . . 0.0 109.909 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 71.4 mtm180 -84.01 -165.18 1.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.204 -1.174 . . . . 0.0 109.265 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.46 HD13 HH11 ' A' ' 6' ' ' ARG . 4.1 mm -133.03 122.99 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.431 -0.793 . . . . 0.0 109.183 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' H ' HD12 ' A' ' 13' ' ' LEU . 4.9 mp -89.41 154.38 20.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 108.762 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -88.47 161.86 16.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.09 -1.006 . . . . 0.0 108.712 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' GLY . 30.0 m -46.79 162.19 0.05 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.056 -1.028 . . . . 0.0 109.49 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' THR . . . 80.28 -38.79 2.25 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' OE2' ' CD1' ' A' ' 27' ' ' TYR . 17.1 mp0 -94.1 145.86 24.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.295 -1.121 . . . . 0.0 110.275 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -179.74 137.95 0.13 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.68 143.73 47.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.076 -1.015 . . . . 0.0 109.563 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.528 ' NH1' ' H ' ' A' ' 22' ' ' ASP . 4.0 ptm180 -97.83 -151.31 0.37 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.346 -0.846 . . . . 0.0 110.063 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -78.32 -26.35 46.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.157 -0.965 . . . . 0.0 111.163 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.528 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 99.5 m-20 -80.89 2.48 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.823 -1.173 . . . . 0.0 110.286 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -24.64 3.55 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -67.23 158.44 31.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.347 . . . . 0.0 109.187 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.65 151.34 39.32 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.284 -0.885 . . . . 0.0 109.335 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.18 127.42 21.15 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 28.5 t80 -121.67 105.23 10.23 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -88.36 139.88 30.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 4.1 p90 -151.0 136.49 17.82 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.946 -1.097 . . . . 0.0 109.58 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -80.44 125.01 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.718 -0.614 . . . . 0.0 109.504 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -79.93 -178.74 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -78.49 11.2 2.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 109.866 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -100.81 -29.41 12.27 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.42 33.44 3.91 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 3.2 pt-20 -140.88 117.16 7.57 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.453 -1.027 . . . . 0.0 108.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.07 157.59 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.845 1.696 . . . . 0.0 112.543 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -135.2 136.85 42.1 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.459 -0.776 . . . . 0.0 109.304 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -100.34 126.7 46.72 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.268 -0.895 . . . . 0.0 111.271 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.49 119.24 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.83 153.12 20.12 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.096 -1.003 . . . . 0.0 111.453 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -173.3 142.77 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -96.68 -26.24 15.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 10.1 mtpp -96.6 134.5 39.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.527 -0.733 . . . . 0.0 110.212 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD11 ' CZ ' ' A' ' 61' ' ' ARG . 43.9 tp -79.94 -26.19 40.17 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.7 m -145.41 155.91 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -70.1 67.16 0.29 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.362 -0.837 . . . . 0.0 109.722 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' VAL . 36.4 m -149.87 -40.46 0.14 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.551 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 1.7 m-20 -67.98 -169.57 0.14 Allowed 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.564 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -138.39 149.77 45.87 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.122 -0.986 . . . . 0.0 109.391 179.399 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 50' ' ' VAL . 19.4 m -85.2 137.7 37.04 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.536 -0.728 . . . . 0.0 109.566 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.83 160.0 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.074 1.182 . . . . 0.0 111.034 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -57.43 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.395 -0.816 . . . . 0.0 111.709 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -2.07 0.05 OUTLIER Glycine 0 N--CA 1.494 2.512 0 O-C-N 121.276 -0.89 . . . . 0.0 111.742 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 52' ' ' ALA . 5.3 mptt -91.71 157.84 16.71 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.531 -1.57 . . . . 0.0 109.989 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -81.92 174.24 11.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 0.0 109.313 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -98.25 145.48 26.6 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.267 -0.896 . . . . 0.0 109.138 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' ILE . . . -166.18 63.4 0.1 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.22 -0.925 . . . . 0.0 110.032 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 62' ' ' GLU . 6.1 pt 24.27 -140.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.327 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.429 ' OG ' ' OE2' ' A' ' 62' ' ' GLU . 1.1 p -124.47 147.45 48.32 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -49.21 -36.54 20.22 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.262 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.484 ' CZ ' HD11 ' A' ' 44' ' ' LEU . 10.2 mpt_? -62.4 -27.49 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 0.0 109.469 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -77.27 -41.34 41.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.529 -1.357 . . . . 0.0 107.867 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.501 ' HG2' HD11 ' A' ' 58' ' ' ILE . 41.6 mttm -67.03 -58.13 5.52 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.52 ' CD1' HD22 ' A' ' 60' ' ' LEU . 6.5 mt -44.96 -46.28 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.99 63.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.787 . . . . 0.0 110.103 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.049 -1.032 . . . . 0.0 109.351 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.06 -38.65 79.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.45 -0.781 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 109.583 -179.851 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 18.1 p-10 -81.89 -172.46 3.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.941 . . . . 0.0 109.98 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.566 ' CG ' HE22 ' A' ' 19' ' ' GLN . 74.8 m-20 -91.82 4.88 51.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.372 -0.83 . . . . 0.0 110.152 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -103.12 -52.28 3.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.187 -0.945 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.25 -0.9 0.43 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NH1' HD23 ' A' ' 44' ' ' LEU . 65.5 mtm180 -79.72 -160.4 0.26 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.109 -1.23 . . . . 0.0 108.391 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mm -131.86 120.71 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.226 -0.921 . . . . 0.0 109.842 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -89.11 141.32 28.61 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.195 -0.941 . . . . 0.0 108.555 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -91.01 -167.46 1.82 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.081 -1.012 . . . . 0.0 109.737 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 16' ' ' GLY . 53.4 m -72.09 169.27 16.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.175 -0.953 . . . . 0.0 108.556 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.571 ' N ' HG22 ' A' ' 15' ' ' THR . . . 71.09 -49.3 0.89 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -90.36 140.68 29.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.383 -1.069 . . . . 0.0 109.33 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.0 p -156.32 -133.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.178 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.566 HE22 ' CG ' ' A' ' 8' ' ' ASN . 15.0 tt0 -159.75 142.19 13.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -0.919 . . . . 0.0 109.466 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -85.15 -153.49 0.17 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.272 -0.893 . . . . 0.0 110.075 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -95.41 -23.35 17.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.413 -0.804 . . . . 0.0 110.621 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 1.92 28.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.054 -1.029 . . . . 0.0 109.906 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.74 -16.77 58.51 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -68.41 154.72 41.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.198 -1.177 . . . . 0.0 109.219 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -74.84 154.92 38.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.268 -0.895 . . . . 0.0 109.078 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -138.9 133.93 32.56 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.389 -0.819 . . . . 0.0 108.91 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -129.59 102.89 6.56 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -96.57 137.24 35.94 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 11.9 p90 -152.13 135.23 15.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.897 -1.127 . . . . 0.0 109.526 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.38 126.16 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.641 -0.662 . . . . 0.0 109.595 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.4 m-20 -80.18 177.91 8.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.214 -0.929 . . . . 0.0 109.489 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -75.24 11.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.813 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.54 -30.38 11.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.0 34.03 3.86 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -140.09 115.46 7.84 Favored Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.598 -0.942 . . . . 0.0 108.913 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -42.77 159.84 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.874 1.716 . . . . 0.0 112.389 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.36 127.85 28.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.371 -0.83 . . . . 0.0 109.512 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.631 ' N ' ' NE2' ' A' ' 37' ' ' GLN . 9.3 m-85 -96.85 128.65 44.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.297 -0.877 . . . . 0.0 111.351 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.414 HG23 ' OE1' ' A' ' 37' ' ' GLN . 77.3 t -127.52 116.88 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -102.41 147.58 26.54 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.209 -0.932 . . . . 0.0 110.987 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.8 148.1 17.27 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -101.91 -38.08 7.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.131 -0.981 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -91.54 125.7 36.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.567 -0.708 . . . . 0.0 109.777 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD23 ' NH1' ' A' ' 11' ' ' ARG . 58.6 tp -73.54 -25.53 60.43 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.1 m -142.28 152.25 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' N ' ' HB3' ' A' ' 59' ' ' SER . . . -70.47 66.31 0.32 Allowed 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.735 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' VAL . 20.7 m -151.82 -35.56 0.13 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.34 -166.67 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.654 -0.654 . . . . 0.0 109.561 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -131.93 -154.94 0.65 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -156.67 133.69 6.52 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.008 -1.057 . . . . 0.0 109.898 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -41.82 132.59 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.061 1.841 . . . . 0.0 112.494 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 147.38 6.77 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.381 -0.825 . . . . 0.0 109.29 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.03 51.72 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 54' ' ' LYS . 11.3 mptt -87.52 155.51 19.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -1.17 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -79.41 140.01 37.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.161 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -69.59 158.0 36.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.962 . . . . 0.0 109.384 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -169.07 157.35 7.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.0 108.931 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 62' ' ' GLU . 5.9 pt -72.02 163.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.407 ' HB3' ' N ' ' A' ' 46' ' ' ALA . 1.3 p -65.27 156.23 32.65 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 121.076 -1.015 . . . . 0.0 109.949 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' HG ' HD12 ' A' ' 64' ' ' ILE . 17.0 tp -52.6 -46.28 66.92 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -56.58 -29.19 61.78 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.181 -0.949 . . . . 0.0 110.015 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HB3' HD12 ' A' ' 58' ' ' ILE . 39.7 mm-40 -74.45 -37.12 63.33 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -66.52 -64.17 0.91 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.455 HD12 ' HG ' ' A' ' 60' ' ' LEU . 6.9 mt -48.86 -39.53 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.344 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 61' ' ' ARG . . . -53.21 -38.16 62.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.328 -0.858 . . . . 0.0 110.383 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -72.94 -36.1 67.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.823 -1.173 . . . . 0.0 108.845 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.98 -27.88 61.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.463 -0.773 . . . . 0.0 111.287 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 . . . . . 0 N--CA 1.498 1.961 0 O-C-N 120.628 -1.295 . . . . 0.0 110.638 -178.191 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -153.91 146.92 24.51 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.264 -0.897 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.67 ' H ' ' NE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -80.04 117.99 21.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.267 -0.896 . . . . 0.0 109.412 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HE ' ' HA2' ' A' ' 10' ' ' GLY . 4.3 mmm-85 -105.63 155.22 19.44 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -81.76 -165.97 1.1 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.122 -0.986 . . . . 0.0 109.54 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -79.24 10.57 3.51 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.426 -0.796 . . . . 0.0 109.844 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -134.22 -93.9 0.3 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.89 . . . . 0.0 109.554 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA2' ' HE ' ' A' ' 6' ' ' ARG . . . -151.48 8.59 0.65 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.448 HH21 HD23 ' A' ' 44' ' ' LEU . 10.7 mtp180 -84.75 145.2 28.04 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.239 -1.153 . . . . 0.0 109.37 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mm -90.64 124.84 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 110.054 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.69 157.67 18.46 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -88.78 157.66 18.41 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.868 -1.145 . . . . 0.0 109.03 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 16' ' ' GLY . 88.6 m -47.3 168.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.989 -1.069 . . . . 0.0 109.486 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 15' ' ' THR . . . 74.69 -41.19 1.19 Allowed Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 15' ' ' THR . 45.8 mt-10 -92.1 164.12 13.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.273 -1.134 . . . . 0.0 110.223 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 19' ' ' GLN . 27.6 t -175.99 -147.03 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.533 ' N ' ' OG ' ' A' ' 18' ' ' SER . 11.4 pt20 -150.33 129.34 12.6 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.855 -1.153 . . . . 0.0 109.81 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.95 -153.31 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.497 -0.752 . . . . 0.0 109.413 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -94.7 -20.54 19.45 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.378 -0.826 . . . . 0.0 108.793 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.55 -2.85 56.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.506 -0.746 . . . . 0.0 109.641 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -14.06 66.04 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.584 HH12 ' H72' ' C' ' 119' ' ' ' DT' . 11.3 ptp180 -67.45 164.27 19.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.963 -1.316 . . . . 0.0 109.175 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -87.11 149.03 24.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.094 -1.004 . . . . 0.0 110.222 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 tp -137.73 142.52 40.99 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -130.96 97.89 4.44 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -92.17 137.13 32.62 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -156.45 138.22 14.26 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.734 -1.229 . . . . 0.0 110.622 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.16 112.6 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -81.15 -179.23 7.26 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.228 -0.92 . . . . 0.0 109.849 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.8 t -77.41 13.77 1.13 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.435 -0.791 . . . . 0.0 109.885 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -96.36 -30.04 13.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.256 -0.903 . . . . 0.0 108.73 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 27.42 6.01 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -154.31 124.68 3.38 Favored Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.304 -1.115 . . . . 0.0 109.115 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -39.8 155.91 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.105 1.87 . . . . 0.0 112.827 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -127.89 131.56 49.4 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.464 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 6.5 m-85 -96.36 122.71 39.54 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.454 -0.779 . . . . 0.0 111.322 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.64 120.99 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -100.61 156.15 17.47 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.023 -1.048 . . . . 0.0 111.096 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.8 t -175.78 148.77 0.89 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -102.08 -30.37 11.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.198 -0.938 . . . . 0.0 108.715 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 9.6 mtmm -97.12 129.61 44.5 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.666 -0.646 . . . . 0.0 109.875 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD23 HH21 ' A' ' 11' ' ' ARG . 48.1 tp -71.49 -31.55 67.24 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.78 158.88 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.33 58.86 1.72 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.268 -0.895 . . . . 0.0 110.793 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.5 p -148.93 -28.14 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.32 -0.862 . . . . 0.0 108.731 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -67.43 -155.0 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.404 -0.81 . . . . 0.0 110.062 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -135.24 -162.47 1.26 Allowed 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.265 -0.897 . . . . 0.0 109.078 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 50' ' ' VAL . 35.4 m -153.77 131.82 6.44 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 120.954 -1.091 . . . . 0.0 109.621 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -40.97 132.36 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.086 1.858 . . . . 0.0 112.587 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.51 141.88 23.98 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.384 -0.823 . . . . 0.0 109.594 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.44 -16.02 61.24 Favored Glycine 0 N--CA 1.497 2.747 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.55 ' HZ2' ' P ' ' C' ' 118' ' ' ' DT' . 0.0 OUTLIER -88.21 157.38 18.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -1.19 . . . . 0.0 109.44 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -78.94 162.24 26.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.372 -0.83 . . . . 0.0 109.655 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -91.06 157.38 17.28 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -172.38 157.82 4.17 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 62' ' ' GLU . 7.3 pt -74.29 140.98 16.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 120.814 -1.179 . . . . 0.0 108.023 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.83 152.07 0.39 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.481 -0.762 . . . . 0.0 109.998 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -53.56 -39.6 64.89 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -55.29 -30.23 59.73 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.383 -0.823 . . . . 0.0 109.495 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HB3' HD12 ' A' ' 58' ' ' ILE . 42.5 mm-40 -79.13 -40.31 31.37 Favored 'General case' 0 N--CA 1.485 1.275 0 O-C-N 120.98 -1.075 . . . . 0.0 108.477 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -63.88 -51.99 62.02 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.513 ' CD1' HD22 ' A' ' 60' ' ' LEU . 10.4 mt -53.37 -47.78 57.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.27 -28.96 20.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.504 -0.747 . . . . 0.0 110.045 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -75.2 -36.25 61.42 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.94 -1.1 . . . . 0.0 108.762 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.72 -35.8 72.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.614 -0.679 . . . . 0.0 110.1 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.15 -37.71 28.35 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.069 -1.02 . . . . 0.0 109.643 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -73.23 -103.42 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.273 -0.892 . . . . 0.0 109.922 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -156.95 93.62 1.36 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.379 -0.826 . . . . 0.0 109.347 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.199 -0.938 . . . . 0.0 109.454 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.644 1 O4'-C1'-N19 112.015 5.269 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.466 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.466 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.448 4.559 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.559 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.575 ' N7 ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C1'-N19 110.644 3.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.548 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.577 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.597 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.597 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.863 1 O4'-C1'-N19 111.354 4.443 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.496 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.0 4.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.464 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.203 1 O4'-C1'-N19 111.455 4.569 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.404 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.585 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.605 0 O4'-C1'-N19 110.562 3.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.585 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.046 1 O4'-C1'-N19 111.718 4.897 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.533 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.186 1 O4'-C1'-N19 111.545 4.681 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.55 ' P ' ' HZ2' ' A' ' 54' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.422 3.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.584 ' H72' HH12 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.768 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.513 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.569 3.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.464 ' N4 ' ' CE2' ' A' ' 38' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 2.736 0 C3'-C2'-C1' 107.271 3.265 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.641 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.933 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.641 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.623 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.888 1 O4'-C1'-N19 111.826 5.033 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.442 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.412 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.371 3.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -82.23 116.6 21.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.26 -0.9 . . . . 0.0 109.135 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' NH1' ' OP1' ' B' ' 104' ' ' ' DT' . 50.8 ttt180 -79.86 170.27 16.74 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.202 -0.936 . . . . 0.0 109.36 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.723 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -128.27 156.93 42.23 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.562 -0.711 . . . . 0.0 109.479 -179.654 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.541 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -81.18 -169.1 2.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -87.76 18.9 3.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.527 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.506 HH11 ' HG2' ' A' ' 9' ' ' ARG . 3.7 mmt-85 -135.05 -88.27 0.36 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.424 -0.797 . . . . 0.0 109.63 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.98 8.2 0.14 Allowed Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -82.66 -165.68 1.11 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.1 -1.235 . . . . 0.0 108.365 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -135.31 123.73 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.03 -1.044 . . . . 0.0 109.456 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.05 140.51 29.37 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.309 -0.87 . . . . 0.0 108.766 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' CG ' ' H ' ' A' ' 15' ' ' THR . 1.0 OUTLIER -88.73 -154.66 0.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.996 -1.065 . . . . 0.0 109.277 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.514 ' H ' ' CG ' ' A' ' 14' ' ' LYS . 55.2 m -86.17 157.36 20.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.24 -0.913 . . . . 0.0 108.954 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 15' ' ' THR . . . 74.84 -29.27 1.08 Allowed Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' A' ' 15' ' ' THR . 50.5 mt-10 -89.89 132.15 35.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.384 -1.068 . . . . 0.0 109.961 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 5.1 m -167.69 163.5 14.35 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.534 ' OE1' ' N ' ' A' ' 19' ' ' GLN . 6.5 mp0 -104.68 139.48 39.44 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.218 -0.926 . . . . 0.0 110.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.526 HH12 ' N6 ' ' C' ' 120' ' ' ' DA' . 15.0 ttt180 -69.2 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -95.66 -19.5 19.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.434 -0.791 . . . . 0.0 109.121 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -84.15 -4.0 58.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.545 -0.722 . . . . 0.0 109.948 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -12.12 68.99 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' NH1' ' C7 ' ' C' ' 119' ' ' ' DT' . 8.4 ptp180 -67.44 137.57 55.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -1.135 . . . . 0.0 108.952 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.69 146.82 41.99 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.072 -1.017 . . . . 0.0 109.161 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.81 142.14 29.73 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.149 -0.97 . . . . 0.0 109.038 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 49.8 t80 -110.54 104.44 13.16 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -97.78 132.39 43.44 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.485 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 27.4 p90 -155.9 127.46 7.28 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.055 -1.028 . . . . 0.0 109.475 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.61 135.54 27.13 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 33' ' ' PHE . 12.7 p30 -80.55 164.64 22.79 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.41 -0.806 . . . . 0.0 109.387 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 t -63.69 6.56 0.15 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.783 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' H ' ' C ' ' A' ' 31' ' ' ASP . 27.9 m-85 -98.55 -28.5 13.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.185 -0.947 . . . . 0.0 108.697 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.49 35.01 3.69 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 108.875 -1.69 . . . . 0.0 108.875 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -131.64 108.64 14.45 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.645 -0.914 . . . . 0.0 109.484 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -42.49 144.96 1.08 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.127 1.885 . . . . 0.0 112.201 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -131.71 113.45 13.58 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 110.025 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -93.12 141.85 27.95 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 122.07 0.938 . . . . 0.0 111.672 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.6 t -139.56 114.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -101.02 167.89 9.95 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-O 122.221 1.01 . . . . 0.0 112.16 -176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.5 170.85 1.02 Allowed 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -114.81 -33.83 5.34 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 121.035 -1.041 . . . . 0.0 109.802 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.76 117.91 30.89 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.0 109.317 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.55 -28.54 69.23 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.861 -1.149 . . . . 0.0 108.086 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.7 m -138.43 144.8 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.76 66.77 0.06 Allowed 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.157 -0.964 . . . . 0.0 110.16 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.2 m -150.27 -34.13 0.17 Allowed 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.28 -161.49 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.591 -0.693 . . . . 0.0 109.22 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -135.88 -160.52 1.06 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.211 -0.93 . . . . 0.0 109.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 50' ' ' VAL . 35.4 m -155.07 119.83 2.56 Favored Pre-proline 0 N--CA 1.497 1.888 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -40.88 133.36 2.64 Favored 'Trans proline' 0 N--CA 1.49 1.298 0 C-N-CA 121.735 1.624 . . . . 0.0 112.381 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.33 156.62 0.57 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.537 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.96 -20.82 33.9 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -88.73 158.46 18.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.199 -1.177 . . . . 0.0 109.285 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 55' ' ' ARG . 1.5 mmp_? -78.35 137.83 38.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.161 -0.962 . . . . 0.0 109.268 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.35 153.67 42.17 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.278 -0.889 . . . . 0.0 109.529 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -166.22 160.19 15.81 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.301 -0.874 . . . . 0.0 108.786 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.627 HD11 ' HG2' ' A' ' 63' ' ' LYS . 9.5 pt -70.78 -177.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' GLU . 7.6 t -86.68 146.91 26.11 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.947 -1.096 . . . . 0.0 109.512 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.45 -33.63 4.12 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 121.506 0.67 . . . . 0.0 109.29 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -64.63 -31.23 72.35 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.743 . . . . 0.0 109.45 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.615 ' HB3' HD12 ' A' ' 58' ' ' ILE . 45.5 mm-40 -76.03 -41.29 51.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 120.969 -1.082 . . . . 0.0 108.245 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.627 ' HG2' HD11 ' A' ' 58' ' ' ILE . 68.0 mttt -62.25 -51.44 67.71 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mt -49.72 -38.48 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.86 72.88 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.482 -0.761 . . . . 0.0 110.508 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' OE2' ' O ' ' A' ' 71' ' ' ILE . 1.2 mm-40 -71.99 -32.59 67.38 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.062 -1.024 . . . . 0.0 109.328 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' C ' ' H ' ' A' ' 69' ' ' LYS . 14.8 mt -67.32 -41.5 85.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.388 -0.82 . . . . 0.0 108.905 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -80.97 26.73 0.41 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 67' ' ' LEU . 37.7 tttp -163.02 -110.32 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -156.88 -93.01 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.093 -1.004 . . . . 0.0 109.382 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.434 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 76.8 mt . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.218 -0.926 . . . . 0.0 109.362 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.68 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 110.556 3.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.68 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.392 4.49 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.506 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.283 0 O4'-C1'-N19 110.511 3.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.682 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.226 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.682 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.72 1 O4'-C1'-N19 111.681 4.852 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.531 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.324 1 O4'-C1'-N19 111.434 4.542 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.581 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.737 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.581 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.304 4.38 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.57 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.118 4.148 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.57 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.255 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.495 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.48 0 O4'-C1'-N19 110.398 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.413 3.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.604 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.604 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.041 1 O4'-C1'-N19 111.689 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.539 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.059 1 O4'-C1'-N19 111.612 4.765 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.638 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.412 0 O4'-C1'-N19 110.658 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.638 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.526 ' N6 ' HH12 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.754 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.516 H2'' " O5'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.9 0 O4'-C1'-N19 110.401 3.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.538 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.986 1 O4'-C1'-N19 111.561 4.702 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.678 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.679 3.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.678 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.184 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.608 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 111.669 4.836 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.608 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.928 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -147.96 145.81 28.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.314 -0.866 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -81.38 159.81 24.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.418 -0.801 . . . . 0.0 109.446 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -132.77 160.55 36.53 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -81.86 -177.31 6.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.086 -1.009 . . . . 0.0 109.533 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -68.25 -1.33 5.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 109.817 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -106.86 -90.44 0.43 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.45 -0.781 . . . . 0.0 109.142 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.7 16.91 0.09 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.418 ' NH1' HD23 ' A' ' 44' ' ' LEU . 54.7 mtm180 -84.88 -178.72 6.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.326 -1.102 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -114.35 116.82 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.444 -0.785 . . . . 0.0 109.999 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' CD1' HE22 ' A' ' 19' ' ' GLN . 7.6 mt -86.27 141.24 29.41 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.15 169.18 12.13 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.74 -1.225 . . . . 0.0 109.855 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -53.27 159.0 1.44 Allowed 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.314 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' H ' ' P ' ' B' ' 103' ' ' ' DG' . . . 78.7 -38.67 1.93 Allowed Glycine 0 N--CA 1.488 2.127 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 18' ' ' SER . 40.4 mt-10 -91.48 145.06 24.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.387 -1.067 . . . . 0.0 109.878 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 14.6 m -166.83 -152.88 0.14 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.416 -0.802 . . . . 0.0 108.951 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.595 HE22 ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -146.87 171.57 15.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.047 -1.033 . . . . 0.0 109.898 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' NH1' ' O6 ' ' B' ' 106' ' ' ' DG' . 4.4 mmm180 -118.94 -162.49 0.91 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.68 -0.637 . . . . 0.0 109.297 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -71.6 -26.92 62.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 109.848 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -82.12 1.33 36.57 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.139 -0.976 . . . . 0.0 109.464 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 -5.35 50.93 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.615 ' NH2' ' CE2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -68.69 148.12 50.86 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.101 -1.235 . . . . 0.0 108.815 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -76.82 153.23 35.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.001 -1.062 . . . . 0.0 109.779 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 tp -143.86 121.83 12.07 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 47.1 t80 -102.84 104.01 14.24 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -100.3 133.99 43.91 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 33.1 p90 -156.94 135.27 11.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.125 -0.984 . . . . 0.0 110.113 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -72.44 118.99 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.522 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.7 m-20 -81.49 170.5 15.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.139 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 65.9 m -69.45 14.06 0.11 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.537 -0.727 . . . . 0.0 109.732 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.492 ' H ' ' C ' ' A' ' 31' ' ' ASP . 25.6 m-85 -96.95 -28.68 14.08 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.78 31.39 5.75 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -151.81 120.81 3.4 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.295 -1.121 . . . . 0.0 109.267 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -41.41 151.83 0.13 Allowed 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.05 1.833 . . . . 0.0 112.719 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -128.94 137.28 51.31 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.446 ' HD2' ' HH ' ' A' ' 40' ' ' TYR . 22.7 m-85 -109.98 130.99 55.45 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.463 -0.773 . . . . 0.0 110.987 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.1 t -131.27 112.38 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.446 ' HH ' ' HD2' ' A' ' 38' ' ' PHE . 96.6 m-85 -99.88 164.54 11.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.223 -0.923 . . . . 0.0 111.02 -177.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -176.53 -172.49 0.46 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CE2' ' NH2' ' A' ' 24' ' ' ARG . 74.7 m95 -133.21 -42.95 0.87 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.232 -0.917 . . . . 0.0 109.555 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 11.7 mtpp -90.61 124.78 35.32 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.29 -0.881 . . . . 0.0 109.756 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 HD23 ' NH1' ' A' ' 11' ' ' ARG . 57.1 tp -65.75 -37.79 87.31 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -136.03 157.47 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.92 65.39 0.23 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.156 -0.965 . . . . 0.0 109.774 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' VAL . 12.1 m -151.72 -31.48 0.16 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 8.0 m-20 -69.59 -158.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 108.824 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.532 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.3 OUTLIER -134.63 -163.91 1.44 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.105 -0.997 . . . . 0.0 109.225 -179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.6 m -155.83 117.38 2.28 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -44.44 138.24 7.65 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.764 1.642 . . . . 0.0 112.436 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.93 156.71 1.94 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.699 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.22 -16.3 52.86 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.809 -1.316 . . . . 0.0 109.809 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.7 mptt -87.83 157.31 19.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -1.15 . . . . 0.0 109.353 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -78.52 113.76 16.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.357 -0.84 . . . . 0.0 109.335 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -50.37 155.65 0.99 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.205 -0.934 . . . . 0.0 109.374 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.25 168.11 3.37 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.214 -0.929 . . . . 0.0 109.117 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.565 HD11 ' HG2' ' A' ' 63' ' ' LYS . 8.3 pt -71.14 -153.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' GLU . 5.5 p -105.07 143.4 33.31 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.1 tp -46.93 -33.42 4.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -67.73 -29.79 69.12 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.511 -0.743 . . . . 0.0 109.247 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' SER . 29.5 mt-10 -77.36 -37.87 51.36 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.565 ' HG2' HD11 ' A' ' 58' ' ' ILE . 63.5 mttt -65.09 -52.5 55.18 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.2 mt -50.72 -40.93 20.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.06 -35.26 64.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.618 -0.676 . . . . 0.0 110.288 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.93 -31.81 64.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.883 -1.136 . . . . 0.0 109.391 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.7 mt -68.26 -28.53 67.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.42 -0.8 . . . . 0.0 109.323 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -80.08 4.53 16.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.396 -0.815 . . . . 0.0 109.06 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -165.96 102.2 0.66 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -86.19 66.32 9.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.582 -0.699 . . . . 0.0 109.68 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.486 HD12 ' C ' ' A' ' 71' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.339 -0.851 . . . . 0.0 109.189 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.909 1 O4'-C1'-N19 112.062 5.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.683 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.683 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.62 1 O4'-C1'-N19 111.575 4.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.578 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.485 3.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.578 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.157 4.196 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.523 ' C6 ' ' C6 ' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.437 4.546 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.523 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.384 4.48 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.623 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.557 3.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.623 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.982 1 O4'-C1'-N19 111.074 4.093 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.492 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.827 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.481 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.35 1 O4'-C1'-N19 111.466 4.583 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.418 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.782 0 O4'-C1'-N19 110.465 3.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.433 3.292 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.514 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.58 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.684 0 O4'-C1'-N19 110.797 3.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.58 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.884 5.105 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.537 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.199 1 O4'-C1'-N19 111.099 4.124 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.532 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.537 0 O4'-C1'-N19 110.44 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.766 3.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.482 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.482 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.547 0 C3'-C2'-C1' 107.174 3.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.706 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 111.863 5.078 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.706 " O5'" H2'' ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.57 0 O4'-C1'-N19 110.47 3.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.645 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.721 1 O4'-C1'-N19 111.772 4.965 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.468 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.667 1 O4'-C1'-N19 111.097 4.121 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.468 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.17 132.08 22.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.196 -0.94 . . . . 0.0 109.166 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.612 HH11 ' CG ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -81.88 162.79 22.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 109.187 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -135.77 154.54 51.19 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.368 -0.833 . . . . 0.0 109.489 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 20.2 p-10 -84.3 -172.49 4.19 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.416 -0.802 . . . . 0.0 109.722 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.692 HD22 ' NE2' ' A' ' 19' ' ' GLN . 10.4 p30 -90.1 4.07 51.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.381 -0.825 . . . . 0.0 109.682 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -104.47 -61.9 1.39 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.0 -2.78 0.07 OUTLIER Glycine 0 N--CA 1.493 2.496 0 C-N-CA 119.709 -1.234 . . . . 0.0 110.596 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -161.39 0.35 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.912 -1.346 . . . . 0.0 108.594 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -130.43 122.04 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.252 -0.905 . . . . 0.0 109.437 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -85.88 135.81 33.54 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' GLY . 8.4 tptt -87.96 169.69 11.78 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 109.817 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.2 m -53.49 88.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.939 -0.704 . . . . 0.0 109.295 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 161.62 -54.57 0.32 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -87.78 142.27 27.95 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.125 -1.22 . . . . 0.0 110.028 -178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -145.57 -136.76 0.09 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.399 -0.813 . . . . 0.0 109.445 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.692 ' NE2' HD22 ' A' ' 8' ' ' ASN . 12.3 tt0 -160.07 150.48 18.63 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.146 -0.971 . . . . 0.0 109.691 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.632 HH22 ' N6 ' ' B' ' 105' ' ' ' DA' . 5.7 tpt180 -108.01 -162.25 0.82 Allowed 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.475 -0.765 . . . . 0.0 109.844 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -23.95 58.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.224 -0.922 . . . . 0.0 109.094 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -81.03 0.58 35.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.041 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.64 -14.82 22.55 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' NH2' ' OP2' ' C' ' 118' ' ' ' DT' . 10.0 ptp180 -67.57 162.94 22.33 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.1 -1.235 . . . . 0.0 109.2 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -80.41 156.58 26.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.307 -0.871 . . . . 0.0 109.937 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' CD2' HH11 ' A' ' 20' ' ' ARG . 6.6 tp -136.69 116.91 13.49 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.622 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 31.5 t80 -109.29 98.07 7.56 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -96.52 134.09 40.16 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.622 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 34.9 p90 -156.42 147.51 22.17 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.044 -1.035 . . . . 0.0 110.132 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mm -78.53 130.57 36.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 33' ' ' PHE . 35.8 p30 -80.51 163.68 23.56 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.053 -1.029 . . . . 0.0 109.82 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -64.38 5.57 0.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.286 -0.884 . . . . 0.0 109.906 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.5 m-85 -99.29 -29.35 12.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.25 -0.906 . . . . 0.0 108.632 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' O ' ' OE2' ' A' ' 35' ' ' GLU . . . 106.54 33.61 3.31 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 34' ' ' GLY . 58.0 mm-40 -138.92 119.68 9.8 Favored Pre-proline 0 N--CA 1.497 1.922 0 O-C-N 121.488 -1.007 . . . . 0.0 109.292 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.08 154.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.86 1.707 . . . . 0.0 112.382 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -137.9 117.7 13.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.36 -0.838 . . . . 0.0 109.586 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -91.36 133.44 35.44 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.3 -0.875 . . . . 0.0 110.539 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -136.14 119.21 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.17 161.45 14.25 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.234 -0.916 . . . . 0.0 111.353 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.04 164.47 6.19 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -109.49 -35.43 6.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.185 -0.947 . . . . 0.0 109.184 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.0 mtmm -97.53 130.09 44.63 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.532 -0.73 . . . . 0.0 109.897 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.37 -35.26 77.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.38 155.97 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.05 67.51 0.65 Allowed 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 119.536 -0.865 . . . . 0.0 109.934 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -149.36 -37.83 0.16 Allowed 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.32 -162.25 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -132.06 -160.44 1.05 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.9 m -155.78 135.64 8.3 Favored Pre-proline 0 N--CA 1.497 1.895 0 O-C-N 121.289 -0.882 . . . . 0.0 109.028 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 77.4 Cg_exo -42.56 144.13 1.37 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.822 1.681 . . . . 0.0 112.458 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.6 139.09 57.95 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.24 -0.913 . . . . 0.0 109.68 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.05 3.07 68.19 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 51' ' ' PRO . 2.2 mmpm? -88.29 157.89 18.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.037 -1.272 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -80.17 109.4 14.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.135 -0.978 . . . . 0.0 108.643 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -46.55 149.39 0.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.542 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -168.01 154.4 7.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.463 HD12 ' HB3' ' A' ' 62' ' ' GLU . 7.3 pt -74.14 144.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 120.771 -1.205 . . . . 0.0 108.499 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 p -46.7 148.18 1.08 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.423 -0.798 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -49.05 -49.15 42.8 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.1 -1.0 . . . . 0.0 108.901 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -49.18 -30.92 7.53 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.492 -0.755 . . . . 0.0 109.87 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB3' HD12 ' A' ' 58' ' ' ILE . 37.1 mm-40 -78.61 -31.78 47.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.708 -1.245 . . . . 0.0 107.985 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' LEU . 30.0 mttm -68.54 -57.0 6.44 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mt -47.12 -43.12 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.26 -34.06 66.04 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.37 -0.831 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -74.71 -34.58 62.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.102 -0.999 . . . . 0.0 109.665 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.21 -31.3 70.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.355 -0.841 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.29 -44.07 18.21 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.336 -0.852 . . . . 0.0 109.176 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -73.55 -99.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 109.378 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -155.69 -73.64 0.11 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.287 -0.883 . . . . 0.0 109.444 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.6 tt . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.005 179.864 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.399 1 O4'-C1'-N19 111.967 5.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.423 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.739 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.501 ' C2 ' ' C2 ' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.728 1 O4'-C1'-N19 111.601 4.751 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.501 ' C2 ' ' C2 ' ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.453 4.566 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.632 ' N6 ' HH22 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.322 0 O4'-C1'-N19 110.835 3.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.617 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 111.26 4.325 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.617 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.517 1 O4'-C1'-N19 111.114 4.142 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.604 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.465 0 O4'-C1'-N19 110.545 3.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.604 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 111.159 4.198 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.577 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.172 4.215 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.497 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.385 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.453 ' H72' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.861 0 O4'-C1'-N19 110.462 3.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 C3'-C2'-C1' 106.978 3.056 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.504 3.38 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.866 3.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.621 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.966 1 O4'-C1'-N19 111.952 5.19 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.476 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.199 1 O4'-C1'-N19 111.688 4.86 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.47 ' OP2' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O4'-C1'-N19 110.778 3.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.508 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.51 3.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.557 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.63 3.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.557 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 C3'-C2'-C1' 107.242 3.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.522 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 111.708 4.885 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.659 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.474 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.659 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.969 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.547 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.648 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.547 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 5' ' ' ARG . 37.9 tt0 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' A' ' 5' ' ' ARG . 19.1 tptt 63.83 -81.18 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.304 -0.873 . . . . 0.0 109.439 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 58.3 ttt180 54.12 166.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.171 -0.956 . . . . 0.0 109.606 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.472 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -139.81 146.59 39.61 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.091 -1.006 . . . . 0.0 109.008 -179.614 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -82.81 -154.69 0.14 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.438 -0.789 . . . . 0.0 109.707 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -89.81 -12.93 37.73 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.268 -0.895 . . . . 0.0 109.837 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -103.78 -98.8 0.31 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.338 -0.851 . . . . 0.0 109.661 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.72 11.81 0.62 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 69.6 mtm180 -82.37 -164.4 0.83 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -1.136 . . . . 0.0 108.825 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -134.3 126.72 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 121.132 -0.98 . . . . 0.0 109.197 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.9 mt -89.31 133.06 34.64 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 109.174 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -90.33 157.95 17.38 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.125 -0.984 . . . . 0.0 109.471 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.0 m -48.25 111.87 0.51 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.121 -0.987 . . . . 0.0 109.591 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.95 -51.23 0.77 Allowed Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -89.24 158.15 17.97 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.319 -1.106 . . . . 0.0 109.726 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -160.45 -148.88 0.17 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.318 -0.864 . . . . 0.0 109.655 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.562 HE22 ' C ' ' A' ' 24' ' ' ARG . 6.9 tp-100 -154.27 127.69 8.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.319 -0.863 . . . . 0.0 108.87 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.605 ' NH1' ' H ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -82.79 -154.13 0.13 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.217 -0.927 . . . . 0.0 109.616 -179.345 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -95.63 -19.43 19.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.308 -0.87 . . . . 0.0 109.691 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.37 3.38 21.38 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.288 -0.882 . . . . 0.0 110.222 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 86.81 -25.3 7.62 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.562 ' C ' HE22 ' A' ' 19' ' ' GLN . 10.1 ptp180 -69.4 156.59 38.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.348 . . . . 0.0 109.228 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 69.8 m-85 -74.25 155.65 38.05 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.068 -1.02 . . . . 0.0 109.413 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 tp -132.97 116.78 16.84 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -117.68 108.45 15.43 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.634 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 2.6 ttmp? -101.84 143.66 31.47 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -156.17 135.28 12.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.08 -1.012 . . . . 0.0 109.933 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.9 mm -70.95 119.71 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.253 -0.904 . . . . 0.0 108.998 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -83.2 173.2 11.86 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.251 -0.905 . . . . 0.0 110.067 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.9 m -77.95 15.57 0.86 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.415 -0.803 . . . . 0.0 109.548 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -95.44 -31.17 13.5 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.43 29.07 4.07 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -159.01 129.14 3.42 Favored Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.085 -1.244 . . . . 0.0 109.815 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -38.89 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.339 2.026 . . . . 0.0 112.997 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.479 ' NE2' ' OP2' ' C' ' 121' ' ' ' DC' . 15.6 tp60 -136.18 122.28 20.27 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.541 -0.724 . . . . 0.0 109.055 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 8.2 m-85 -87.0 139.81 30.2 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.322 -0.861 . . . . 0.0 111.172 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 t -135.33 112.83 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -100.77 150.42 22.81 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.197 -0.939 . . . . 0.0 110.922 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.2 t -164.13 153.73 14.21 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -103.72 -29.08 11.28 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.332 -0.855 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -99.16 120.84 40.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.452 -0.78 . . . . 0.0 109.838 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HB3' HH12 ' A' ' 11' ' ' ARG . 31.5 tp -75.13 -16.26 60.55 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.58 154.61 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.92 56.39 0.97 Allowed 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.121 -0.987 . . . . 0.0 110.748 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 p -148.59 -26.05 0.32 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.304 -0.873 . . . . 0.0 109.173 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -67.95 -161.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.228 -0.92 . . . . 0.0 109.983 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -129.62 -157.6 0.83 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.382 -0.823 . . . . 0.0 109.031 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 50' ' ' VAL . 30.1 m -153.15 129.06 5.2 Favored Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.006 -1.059 . . . . 0.0 109.336 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -41.11 132.06 3.04 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.979 1.786 . . . . 0.0 112.503 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.84 137.08 26.95 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.323 -0.861 . . . . 0.0 109.585 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.84 51.2 Favored Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -87.23 155.76 19.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.196 -1.179 . . . . 0.0 109.418 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -80.42 140.89 35.77 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.24 156.58 39.06 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.239 -0.913 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.74 158.76 15.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.266 -0.896 . . . . 0.0 108.981 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' A' ' 62' ' ' GLU . 11.8 pt -72.17 159.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 p -60.4 159.22 10.53 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.068 -1.053 . . . . 0.0 108.717 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -60.98 -31.56 71.14 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -57.51 -34.27 68.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 58' ' ' ILE . 71.3 mm-40 -76.37 -48.92 18.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.761 -1.212 . . . . 0.0 108.402 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -55.73 -40.02 71.9 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.491 ' CD1' HD22 ' A' ' 60' ' ' LEU . 5.6 mt -68.09 -31.02 50.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.89 84.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.352 -0.842 . . . . 0.0 111.089 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 70' ' ' ASP . 4.9 pt-20 -74.62 -28.29 60.82 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.79 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.7 mt -64.92 -40.17 94.65 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.78 -1.2 . . . . 0.0 108.24 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -82.07 29.07 0.41 Allowed 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 71' ' ' ILE . 63.3 mttm -158.45 -59.39 0.07 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.603 -0.685 . . . . 0.0 109.367 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 66' ' ' GLU . 7.9 t70 63.41 -4.03 0.34 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.618 -0.676 . . . . 0.0 109.666 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.503 ' H ' ' C ' ' A' ' 69' ' ' LYS . 5.9 mm . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.635 1 O4'-C1'-N19 112.404 5.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.532 ' N1 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.998 0 O4'-C1'-N19 110.476 3.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.513 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.996 1 O4'-C1'-N19 111.633 4.792 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.601 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.444 0 O4'-C1'-N19 110.619 3.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.601 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.977 1 O4'-C1'-N19 111.104 4.13 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.587 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.649 1 O4'-C1'-N19 111.826 5.032 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.519 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 111.331 4.414 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.656 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.737 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.656 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.46 1 O4'-C1'-N19 111.274 4.342 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.513 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.927 3.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.474 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.231 1 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.413 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.347 3.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.451 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 C3'-C2'-C1' 106.944 3.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.48 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-N19 110.443 3.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.561 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.433 0 O4'-C1'-N19 110.687 3.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.561 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.842 5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.54 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.241 1 O4'-C1'-N19 111.361 4.452 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.503 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.703 0 C3'-C2'-C1' 107.002 3.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.602 3.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.517 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.479 ' OP2' ' NE2' ' A' ' 37' ' ' GLN . . . . . . . . 0 C5'--C4' 1.535 2.951 0 C3'-C2'-C1' 107.266 3.261 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.523 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.43 4.538 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.665 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.458 0 O4'-C1'-N19 110.621 3.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.665 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.001 1 O4'-C1'-N19 112.033 5.292 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.641 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.581 1 O4'-C1'-N19 111.382 4.477 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.641 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.746 3.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? 58.43 166.3 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.137 -0.977 . . . . 0.0 109.213 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -79.27 147.42 32.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.162 -0.961 . . . . 0.0 108.818 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.727 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -133.1 151.44 52.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.435 -0.791 . . . . 0.0 109.572 -179.401 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -83.59 -168.27 2.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.326 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -87.38 26.08 1.3 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.401 -0.812 . . . . 0.0 109.26 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -134.59 -96.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.459 -0.775 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.71 1.28 0.1 OUTLIER Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 -172.45 4.09 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.013 -1.286 . . . . 0.0 108.258 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mm -125.86 121.69 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.419 -0.801 . . . . 0.0 109.093 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -86.08 133.67 33.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.223 -0.923 . . . . 0.0 108.819 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HA ' ' HZ3' ' A' ' 14' ' ' LYS . 2.0 tptp -89.05 170.86 10.28 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.18 -0.95 . . . . 0.0 109.428 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.9 m -49.98 149.13 2.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.78 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' H ' ' P ' ' B' ' 103' ' ' ' DG' . . . 86.79 -33.15 3.8 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -90.73 146.37 24.04 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.119 -1.224 . . . . 0.0 109.981 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.9 p -173.62 155.75 2.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.416 -0.803 . . . . 0.0 109.104 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -98.08 141.25 31.25 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.08 -1.012 . . . . 0.0 109.737 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.474 HH11 ' HG2' ' A' ' 20' ' ' ARG . 12.4 ttt-85 -86.42 164.96 16.7 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.479 -0.763 . . . . 0.0 109.988 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 13.2 mtpt -54.51 -20.64 8.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.491 -0.756 . . . . 0.0 109.884 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -81.56 -0.52 42.54 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 0.0 110.117 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.83 -23.79 9.97 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -67.06 158.07 31.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -1.223 . . . . 0.0 109.154 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -77.33 153.76 33.5 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.376 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.2 tt -142.56 136.37 29.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.437 -0.789 . . . . 0.0 109.461 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -129.8 113.03 14.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.503 -0.748 . . . . 0.0 109.149 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HZ1' ' CB ' ' A' ' 36' ' ' PRO . 19.0 tttm -100.36 139.37 36.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 35.0 p90 -156.09 138.17 14.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.896 -1.127 . . . . 0.0 109.958 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.14 124.99 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.558 -0.714 . . . . 0.0 109.598 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.4 p30 -82.45 -169.83 2.64 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 0.0 109.595 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -80.14 9.67 5.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.0 109.839 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -99.12 -30.91 12.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.238 -0.914 . . . . 0.0 108.708 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.52 11.15 31.76 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -118.88 118.01 33.4 Favored Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.612 -0.934 . . . . 0.0 108.954 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' CB ' ' HZ1' ' A' ' 28' ' ' LYS . 93.7 Cg_exo -41.8 150.01 0.23 Allowed 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.865 1.71 . . . . 0.0 112.641 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.51 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 7.1 tt0 -129.34 118.0 21.54 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -84.74 148.88 26.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.341 -0.849 . . . . 0.0 111.24 -178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.85 130.91 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.18 150.54 27.1 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.185 -0.947 . . . . 0.0 111.452 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.21 148.05 3.89 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -104.21 -32.62 9.04 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.068 -1.02 . . . . 0.0 109.182 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -95.53 119.88 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.291 -0.88 . . . . 0.0 109.974 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 tp -69.6 -23.69 63.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.027 -1.046 . . . . 0.0 108.479 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.0 m -143.77 152.13 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.43 65.23 0.43 Allowed 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.119 -0.988 . . . . 0.0 109.814 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 5.4 m -151.47 -33.37 0.15 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.01 -162.84 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.474 -0.767 . . . . 0.0 109.54 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmm-85 -136.34 -164.14 1.52 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.304 -0.873 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.568 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.8 m -156.18 119.47 2.32 Favored Pre-proline 0 N--CA 1.497 1.887 0 O-C-N 121.412 -0.805 . . . . 0.0 109.014 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.47 142.84 1.71 Allowed 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 121.712 1.608 . . . . 0.0 112.43 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.46 162.88 0.7 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.433 -0.792 . . . . 0.0 109.827 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.89 -16.39 32.42 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -86.82 158.62 19.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -1.181 . . . . 0.0 109.44 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' A' ' 55' ' ' ARG . 19.1 mmt-85 -79.13 115.47 18.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 0.0 108.941 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -48.16 144.36 3.85 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.22 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -161.82 160.33 28.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.172 -0.955 . . . . 0.0 109.695 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.569 HD12 ' CB ' ' A' ' 62' ' ' GLU . 7.4 pt -72.34 -151.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.3 p -105.22 149.14 26.22 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' HG ' HD12 ' A' ' 64' ' ' ILE . 23.0 tp -48.28 -38.94 20.05 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.507 -0.746 . . . . 0.0 109.432 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -62.88 -32.71 74.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.82 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.569 ' CB ' HD12 ' A' ' 58' ' ' ILE . 8.5 mm-40 -74.31 -35.31 63.67 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.596 -1.315 . . . . 0.0 107.848 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' HG2' HD11 ' A' ' 58' ' ' ILE . 62.2 mttt -68.94 -60.75 2.15 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.469 HD12 ' HG ' ' A' ' 60' ' ' LEU . 4.5 mt -45.24 -42.24 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.87 69.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.578 -0.701 . . . . 0.0 110.471 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -72.35 -32.06 66.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.028 -1.045 . . . . 0.0 109.513 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.17 -35.69 78.44 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.416 -0.803 . . . . 0.0 109.045 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -81.83 -21.42 37.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.384 -0.822 . . . . 0.0 109.26 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -75.62 -108.71 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.265 -0.897 . . . . 0.0 108.953 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -157.76 -41.79 0.07 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.04 -1.037 . . . . 0.0 109.574 179.4 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.411 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 16.0 tt . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.211 -0.931 . . . . 0.0 109.104 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.72 1 O4'-C1'-N19 111.636 4.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.591 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.437 0 O4'-C1'-N19 110.644 3.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.591 ' P ' ' H ' ' A' ' 16' ' ' GLY . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 111.323 4.403 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.574 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.897 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.574 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.57 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 111.607 4.759 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.57 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.612 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.612 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.12 1 O4'-C1'-N19 111.533 4.666 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.544 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.968 3.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.543 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.104 1 O4'-C1'-N19 111.307 4.384 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-N19 110.58 3.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.439 0 O4'-C1'-N19 110.406 3.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.531 3.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.443 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.37 0 O4'-C1'-N19 110.833 3.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.546 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 111.987 5.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.546 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.163 1 O4'-C1'-N19 111.539 4.673 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.418 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.661 0 C3'-C2'-C1' 107.079 3.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.59 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.59 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O4'-C1'-N19 110.886 3.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 C3'-C2'-C1' 107.321 3.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.642 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.038 1 O4'-C1'-N19 111.294 4.367 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.662 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.727 3.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.662 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.446 4.557 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.626 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.719 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.605 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.525 3.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.559 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -77.95 -2.45 36.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.162 -0.961 . . . . 0.0 109.445 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.531 HH12 " C3'" ' B' ' 103' ' ' ' DG' . 39.7 ttt180 60.58 146.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.501 -0.75 . . . . 0.0 109.095 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtt180 -131.74 171.39 13.55 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.325 -0.859 . . . . 0.0 109.492 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 0.4 OUTLIER -82.53 -165.94 1.16 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.345 -0.847 . . . . 0.0 109.457 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -77.54 -5.47 50.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.137 -0.977 . . . . 0.0 110.072 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -104.34 -101.02 0.31 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 109.387 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.12 11.97 0.19 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -84.4 -170.44 3.1 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.309 -1.112 . . . . 0.0 108.933 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -126.46 100.68 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.428 -0.795 . . . . 0.0 109.935 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' H ' ' CD2' ' A' ' 13' ' ' LEU . 1.4 pt? -85.35 162.97 18.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -89.0 163.18 15.65 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.688 -1.257 . . . . 0.0 110.556 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.496 ' O ' ' P ' ' B' ' 103' ' ' ' DG' . 63.5 m -48.87 -52.79 22.38 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.547 -0.72 . . . . 0.0 109.776 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.37 -34.19 3.36 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -86.8 159.69 19.03 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.442 -1.034 . . . . 0.0 109.729 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -167.49 179.48 4.92 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.332 -0.855 . . . . 0.0 109.668 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' H ' ' NH2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -134.98 143.5 46.87 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' O ' ' OE1' ' A' ' 19' ' ' GLN . 15.6 ptm180 -109.03 -166.85 1.15 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.416 -0.803 . . . . 0.0 110.738 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 1.6 mtpm? -64.53 -23.12 67.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.576 -0.703 . . . . 0.0 110.533 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' ARG . 30.3 m-20 -81.09 -0.91 42.11 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 109.551 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 -13.29 3.63 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' CZ ' ' OP2' ' C' ' 119' ' ' ' DT' . 4.4 ptm180 -70.51 147.3 49.51 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.327 -1.102 . . . . 0.0 109.951 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -81.09 147.52 30.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.436 -0.79 . . . . 0.0 108.996 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 pp -146.4 135.08 22.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -0.856 . . . . 0.0 108.894 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.626 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 37.5 t80 -102.13 103.97 14.56 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -102.19 133.98 46.18 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.626 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 29.5 p90 -154.93 152.66 29.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 110.524 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.4 mm -80.78 108.05 13.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -81.46 167.82 18.97 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.166 -0.959 . . . . 0.0 109.788 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.3 t -73.05 20.97 0.08 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.431 -0.793 . . . . 0.0 109.878 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 31' ' ' ASP . 35.3 m-85 -95.36 -39.85 9.81 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 108.937 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' N ' ' OE2' ' A' ' 35' ' ' GLU . . . 125.82 15.31 2.93 Favored Glycine 0 N--CA 1.498 2.802 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE2' ' N ' ' A' ' 34' ' ' GLY . 2.0 pm0 -160.61 137.74 6.74 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 120.821 -1.399 . . . . 0.0 110.132 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -40.79 165.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.415 2.077 . . . . 0.0 113.005 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -138.58 125.14 20.69 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -93.92 134.78 35.94 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.934 0.873 . . . . 0.0 112.27 -178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.7 t -135.41 109.96 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -99.24 169.07 9.63 Favored 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.002 -1.061 . . . . 0.0 112.141 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.33 -151.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -149.65 -32.94 0.2 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.847 -1.158 . . . . 0.0 108.441 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 13.2 mtpp -99.53 127.82 45.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.532 -0.73 . . . . 0.0 110.072 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -72.3 -32.33 66.48 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -139.86 156.78 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' N ' ' OG ' ' A' ' 59' ' ' SER . . . -70.17 67.74 0.31 Allowed 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.89 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' VAL . 17.6 m -152.12 -35.3 0.13 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 10.2 m-20 -67.44 -160.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.655 . . . . 0.0 109.474 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.586 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -135.05 -155.72 0.67 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.207 -0.933 . . . . 0.0 109.4 -179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.1 m -152.8 122.52 3.35 Favored Pre-proline 0 N--CA 1.5 2.032 0 O-C-N 121.195 -0.941 . . . . 0.0 108.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -44.81 135.52 10.04 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.565 1.51 . . . . 0.0 112.161 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.54 144.5 10.37 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.416 -0.802 . . . . 0.0 109.67 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.89 -18.2 57.93 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 1.3 mptm? -87.21 161.16 18.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -1.168 . . . . 0.0 109.358 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -80.04 134.11 36.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.322 -0.861 . . . . 0.0 109.381 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -63.47 149.91 44.99 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.12 -0.987 . . . . 0.0 109.259 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.39 164.62 19.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.103 -0.998 . . . . 0.0 109.641 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 62' ' ' GLU . 4.0 pt -72.23 -144.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' N ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -111.81 144.78 40.55 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.459 -0.775 . . . . 0.0 108.987 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.5 tp -52.26 -12.4 0.25 Allowed 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 59' ' ' SER . 9.2 mmt180 -80.93 -36.28 31.26 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -74.67 -42.93 57.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -57.3 -43.09 82.9 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.1 mt -60.06 -50.98 78.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.28 -26.13 38.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.492 -0.755 . . . . 0.0 110.442 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 70' ' ' ASP . 39.1 mm-40 -73.22 -32.22 64.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.081 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -67.6 -46.87 71.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.129 -0.982 . . . . 0.0 108.821 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -84.9 33.45 0.53 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -161.4 -37.7 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.344 -0.847 . . . . 0.0 110.048 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 66' ' ' GLU . 26.3 t0 -85.86 -45.48 11.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.06 -1.025 . . . . 0.0 109.706 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 N--CA 1.495 1.779 0 O-C-N 121.214 -0.929 . . . . 0.0 109.378 -179.795 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.595 1 O4'-C1'-N19 111.597 4.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.53 ' N1 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.888 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.531 " C3'" HH12 ' A' ' 5' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.403 4.504 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.596 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.112 0 O4'-C1'-N19 110.739 3.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.608 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.998 3.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.608 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.771 1 O4'-C1'-N19 111.837 5.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.534 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.692 1 O4'-C1'-N19 111.391 4.489 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.606 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.606 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.166 4.208 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.586 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.947 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.586 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.129 1 O4'-C1'-N19 111.619 4.773 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.475 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.71 3.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.461 " O5'" H2'' ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.668 0 O4'-C1'-N19 110.48 3.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.519 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.523 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.824 3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.547 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.999 1 O4'-C1'-N19 111.85 5.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.665 " H2'" ' H72' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.575 4.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.665 ' H72' " H2'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.095 0 C3'-C2'-C1' 106.969 3.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.494 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C1'-N19 110.608 3.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.494 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.49 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.701 3.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.54 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.49 4.613 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.702 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.441 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.702 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.197 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.562 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.704 1 O4'-C1'-N19 111.597 4.746 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.961 0 O4'-C1'-N19 110.289 3.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -80.84 -166.71 1.17 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.962 . . . . 0.0 109.015 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -79.33 161.02 26.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.097 -1.002 . . . . 0.0 109.481 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 10' ' ' GLY . 12.3 mtm180 -135.03 167.54 20.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.533 -0.729 . . . . 0.0 109.197 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 5.5 p-10 -84.19 -147.09 0.09 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 110.573 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.611 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 88.9 m-20 -89.98 -12.9 37.32 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.71 -0.619 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.607 ' H ' ' CG ' ' A' ' 7' ' ' ASP . 21.6 mmt180 -104.92 -96.99 0.33 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.395 -0.815 . . . . 0.0 109.553 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.525 ' O ' ' NH1' ' A' ' 6' ' ' ARG . . . -157.4 13.49 0.29 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.83 -1.308 . . . . 0.0 109.83 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HE ' HD23 ' A' ' 44' ' ' LEU . 1.3 ptm180 -84.34 168.67 15.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.154 -1.203 . . . . 0.0 109.278 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mm -102.68 124.86 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.19 -0.944 . . . . 0.0 109.887 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 mt -88.64 140.13 29.77 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 108.42 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -88.93 156.36 18.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.122 -0.987 . . . . 0.0 109.067 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -51.92 123.77 11.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.133 -0.979 . . . . 0.0 109.068 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' N ' ' OP2' ' B' ' 103' ' ' ' DG' . . . 111.81 -27.63 10.2 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -91.01 158.0 16.94 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.354 -1.086 . . . . 0.0 109.606 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p -176.9 -164.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.886 . . . . 0.0 109.112 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.611 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 2.6 pt20 -142.69 128.02 18.82 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.222 -0.923 . . . . 0.0 109.371 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HE ' ' H ' ' A' ' 21' ' ' LYS . 12.0 ttp180 -69.45 -149.5 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.241 -0.912 . . . . 0.0 109.443 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' H ' ' HE ' ' A' ' 20' ' ' ARG . 2.8 mtpm? -91.31 -22.02 20.75 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.318 -0.864 . . . . 0.0 109.825 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -81.49 -1.24 45.3 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.215 -0.928 . . . . 0.0 109.943 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.33 -14.64 57.25 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.524 HH22 ' P ' ' C' ' 118' ' ' ' DT' . 8.9 ptp180 -67.79 143.16 55.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.176 -1.19 . . . . 0.0 109.251 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -75.22 153.02 38.28 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.152 -0.967 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.679 HD12 ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -145.9 135.45 23.17 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.099 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.84 110.38 18.95 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.534 -0.729 . . . . 0.0 109.26 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -93.42 140.25 29.78 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.506 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 14.6 p90 -154.39 137.73 15.8 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.057 -1.027 . . . . 0.0 109.513 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.0 mm -77.36 125.47 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.0 109.262 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.4 p30 -81.79 -166.34 1.19 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 109.918 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 p -79.72 -0.96 36.39 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.393 -0.817 . . . . 0.0 110.029 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -93.54 -30.15 15.15 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.263 -0.898 . . . . 0.0 109.117 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.34 8.71 35.14 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -109.29 115.23 56.76 Favored Pre-proline 0 N--CA 1.498 1.943 0 O-C-N 121.648 -0.913 . . . . 0.0 109.551 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_exo -43.49 135.41 6.61 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.944 1.762 . . . . 0.0 112.366 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 36.8 tt0 -116.55 133.42 56.03 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.578 -0.701 . . . . 0.0 109.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.28 147.89 23.31 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-O 122.035 0.921 . . . . 0.0 111.03 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.95 110.81 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -98.76 160.63 14.14 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.022 -1.049 . . . . 0.0 111.537 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.8 p -174.54 159.7 2.99 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -101.0 -36.35 9.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.073 -1.017 . . . . 0.0 109.769 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -92.1 145.6 24.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.078 -1.013 . . . . 0.0 110.419 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.581 HD23 ' HE ' ' A' ' 11' ' ' ARG . 28.3 tp -86.07 -25.27 25.95 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.6 m -145.8 150.13 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.67 66.71 0.74 Allowed 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.835 -1.165 . . . . 0.0 110.211 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.9 m -149.54 -32.46 0.21 Allowed 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -65.79 -148.76 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 -140.58 -163.05 1.45 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.016 -1.053 . . . . 0.0 109.542 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.6 m -156.15 123.08 2.67 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.424 -0.798 . . . . 0.0 109.141 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.86 137.34 4.35 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.806 1.67 . . . . 0.0 112.321 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.38 8.14 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.329 -0.857 . . . . 0.0 109.53 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 90.91 -16.95 57.24 Favored Glycine 0 N--CA 1.497 2.738 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 4.0 mptt -87.25 151.56 23.04 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -1.126 . . . . 0.0 108.995 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.42 126.23 30.56 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.139 -0.976 . . . . 0.0 108.451 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -56.56 145.1 29.23 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.383 -0.823 . . . . 0.0 109.933 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.93 158.52 40.82 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 62' ' ' GLU . 8.8 pt -73.57 168.85 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.22 155.07 41.01 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.974 -1.079 . . . . 0.0 108.441 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -55.45 -37.05 67.23 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 119.409 -0.917 . . . . 0.0 108.76 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -56.8 -31.08 64.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.399 -0.813 . . . . 0.0 110.395 -179.396 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.596 ' HB3' HD12 ' A' ' 58' ' ' ILE . 43.8 mt-10 -74.77 -42.84 57.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.52 -1.363 . . . . 0.0 108.106 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ILE . 47.1 mttm -63.15 -63.52 1.17 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 60' ' ' LEU . 15.0 mt -38.61 -45.72 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 CA-C-O 121.314 0.578 . . . . 0.0 110.215 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.06 71.83 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.442 -0.786 . . . . 0.0 110.802 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.46 -28.56 61.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.806 -1.183 . . . . 0.0 109.564 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.0 -35.68 80.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 109.06 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 64' ' ' ILE . 12.1 mp0 -79.81 -49.53 11.86 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -76.53 -109.02 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.31 -0.869 . . . . 0.0 108.872 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -158.9 -104.87 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.398 -0.813 . . . . 0.0 109.15 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.924 1 O4'-C1'-N19 111.892 5.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.536 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.748 0 O4'-C1'-N19 110.69 3.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.536 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.552 4.69 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.582 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.389 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.582 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.009 4.011 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.569 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.09 4.112 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.569 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.494 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.654 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.531 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.654 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.13 4.163 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.453 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.409 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.377 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.771 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.521 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 C3'-C2'-C1' 107.023 3.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.431 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.901 3.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.431 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.853 3.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.742 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.894 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.742 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.402 1 O4'-C1'-N19 112.276 5.595 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.524 ' P ' HH22 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.686 0 C3'-C2'-C1' 107.084 3.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.587 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.757 0 O4'-C1'-N19 110.754 3.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.587 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.509 H2'' " O5'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.697 0 C3'-C2'-C1' 107.167 3.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.563 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 O4'-C1'-N19 111.721 4.901 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.631 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.545 0 O4'-C1'-N19 110.693 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.631 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.834 1 O4'-C1'-N19 111.815 5.019 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.613 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.546 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.18 135.32 6.08 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.924 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -80.67 130.34 35.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 5.0 tpp180 -104.65 158.14 16.7 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.41 -0.806 . . . . 0.0 109.495 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -82.11 -157.82 0.22 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -0.921 . . . . 0.0 109.536 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -90.94 -8.73 48.48 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.278 -0.889 . . . . 0.0 110.361 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -105.23 -95.31 0.34 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.81 12.53 0.38 Allowed Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' ' CD ' ' A' ' 6' ' ' ARG . 66.5 mtm180 -83.88 -162.86 0.69 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.283 -1.127 . . . . 0.0 109.083 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mm -134.9 123.23 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.271 -0.893 . . . . 0.0 109.266 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD11 HE22 ' A' ' 19' ' ' GLN . 79.0 mt -88.61 148.99 23.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.213 -0.929 . . . . 0.0 108.846 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -88.75 169.54 11.55 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.09 -1.006 . . . . 0.0 109.181 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.413 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 6.8 m -62.31 105.63 0.64 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.86 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.78 -39.06 1.61 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mp0 -89.36 144.28 26.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.238 -1.154 . . . . 0.0 110.254 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -160.33 -167.74 1.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.591 HE22 HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -143.05 149.53 38.35 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.071 -1.018 . . . . 0.0 109.658 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -93.1 -151.15 0.29 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.291 -0.881 . . . . 0.0 109.439 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -80.79 -21.38 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.301 -0.874 . . . . 0.0 109.669 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -80.59 -1.44 42.15 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.335 -0.853 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.65 -15.56 13.69 Favored Glycine 0 N--CA 1.493 2.499 0 C-N-CA 120.069 -1.062 . . . . 0.0 110.484 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -67.53 160.79 26.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.863 -1.375 . . . . 0.0 108.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -82.99 153.32 25.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -0.905 . . . . 0.0 110.544 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 tp -140.96 115.43 9.45 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' CE2' ' CD2' ' A' ' 29' ' ' TYR . 31.3 t80 -104.0 101.73 11.5 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' NZ ' ' O6 ' ' B' ' 103' ' ' ' DG' . 26.5 tttt -95.46 133.4 39.47 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 20.7 p90 -155.48 137.68 14.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.898 -1.126 . . . . 0.0 109.963 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.9 mm -79.34 121.13 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.524 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -79.58 179.41 7.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.2 -0.938 . . . . 0.0 109.848 -179.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -68.56 8.63 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.908 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 31' ' ' ASP . 15.6 m-85 -99.87 -27.86 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.24 -0.32 54.16 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.28 116.05 61.98 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.467 -1.02 . . . . 0.0 109.408 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -43.1 157.98 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.764 1.643 . . . . 0.0 112.42 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -135.33 136.9 41.92 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.513 -0.742 . . . . 0.0 109.008 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -107.27 133.87 51.19 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.373 -0.829 . . . . 0.0 111.245 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.4 t -135.87 120.61 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -100.99 163.46 12.28 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.167 -0.958 . . . . 0.0 110.857 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.94 138.34 0.12 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -88.22 -36.57 16.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.022 -1.049 . . . . 0.0 108.369 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -92.89 135.44 34.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.709 -0.62 . . . . 0.0 109.72 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.408 HD23 ' NH1' ' A' ' 11' ' ' ARG . 45.9 tp -85.0 -25.19 27.87 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.082 -1.011 . . . . 0.0 108.598 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 47' ' ' THR . 2.0 m -142.11 148.91 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.59 63.06 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.859 0 O-C-N 121.228 -0.92 . . . . 0.0 110.684 -178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 ' CG2' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.78 -31.5 0.16 Allowed 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -68.99 -162.41 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.504 -0.748 . . . . 0.0 109.752 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -139.08 -160.1 1.03 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.279 -0.888 . . . . 0.0 109.224 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 50' ' ' VAL . 35.3 m -154.08 131.13 5.93 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -38.15 131.42 0.93 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 121.904 1.736 . . . . 0.0 112.284 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.29 145.83 4.21 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.614 -0.679 . . . . 0.0 109.765 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.64 -23.5 33.69 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.54 157.08 19.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.058 -1.26 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -78.28 137.46 38.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.349 -0.844 . . . . 0.0 109.732 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -75.45 160.93 29.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.239 -0.913 . . . . 0.0 109.11 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.82 155.69 16.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 108.983 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.689 HD12 ' HB3' ' A' ' 62' ' ' GLU . 12.8 pt -70.93 141.98 16.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.55 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -51.61 153.0 2.49 Favored 'General case' 0 C--N 1.294 -1.808 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.53 -179.176 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.506 ' CD2' HD12 ' A' ' 64' ' ' ILE . 3.0 tt -49.36 -42.52 42.25 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.929 -0.482 . . . . 0.0 110.022 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -52.0 -30.19 24.11 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 110.482 -179.147 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.689 ' HB3' HD12 ' A' ' 58' ' ' ILE . 12.6 mm-40 -75.29 -38.11 60.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.548 -1.345 . . . . 0.0 108.565 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HG2' HD11 ' A' ' 58' ' ' ILE . 76.7 mttt -69.96 -41.84 73.97 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.506 HD12 ' CD2' ' A' ' 60' ' ' LEU . 1.3 mt -63.15 -45.39 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.9 -27.43 42.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.48 -0.763 . . . . 0.0 110.106 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -73.1 -34.82 66.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.93 -1.107 . . . . 0.0 108.495 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 69' ' ' LYS . 14.5 mt -68.98 -42.56 76.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.207 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.89 20.99 0.72 Allowed 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 70' ' ' ASP . 2.2 tmtm? -158.72 -101.16 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.518 ' N ' ' CD ' ' A' ' 69' ' ' LYS . 60.0 t0 -159.28 -117.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.498 -1.376 . . . . 0.0 109.264 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.2 pt . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.261 -0.899 . . . . 0.0 109.198 179.724 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 111.932 5.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.601 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.003 0 O4'-C1'-N19 110.555 3.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.601 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.654 1 O4'-C1'-N19 111.535 4.668 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.574 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.298 0 O4'-C1'-N19 110.82 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.621 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 111.469 4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.621 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.024 1 O4'-C1'-N19 111.683 4.853 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.496 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.581 1 O4'-C1'-N19 111.24 4.3 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.625 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 0 O4'-C1'-N19 110.708 3.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.625 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.272 4.34 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.508 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.824 0 O4'-C1'-N19 110.992 3.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.508 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.075 1 O4'-C1'-N19 111.428 4.534 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.402 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.648 3.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.313 3.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.618 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.618 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.056 1 O4'-C1'-N19 111.672 4.84 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.609 " H2'" ' H72' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.329 1 O4'-C1'-N19 112.135 5.418 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.609 ' H72' " H2'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.369 0 O4'-C1'-N19 110.321 3.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.655 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.655 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.694 3.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.503 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.705 0 O4'-C1'-N19 110.41 3.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.634 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.698 1 O4'-C1'-N19 111.656 4.819 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.645 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.645 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.931 5.164 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.491 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.248 4.31 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.491 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -64.57 158.98 22.78 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.273 -0.892 . . . . 0.0 109.139 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -81.82 150.48 27.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.318 -0.864 . . . . 0.0 109.274 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -113.22 168.88 9.35 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.492 -0.755 . . . . 0.0 109.68 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 9' ' ' ARG . 42.5 p-10 -82.99 -166.37 1.32 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -0.842 . . . . 0.0 109.709 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.687 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -73.54 17.1 0.16 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.394 -0.816 . . . . 0.0 109.673 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 7' ' ' ASP . 3.6 mmp_? -133.99 -101.62 0.24 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.345 -0.847 . . . . 0.0 109.305 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.26 11.45 0.89 Allowed Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' NH2' ' CB ' ' A' ' 44' ' ' LEU . 5.7 mtp180 -83.6 161.98 20.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.392 -1.064 . . . . 0.0 109.14 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -102.66 120.16 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.303 -0.873 . . . . 0.0 110.238 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.22 142.1 28.05 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.291 -0.88 . . . . 0.0 108.67 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -89.44 151.77 21.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.063 -1.023 . . . . 0.0 109.471 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -48.61 104.79 0.07 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.132 -0.98 . . . . 0.0 109.457 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.99 -44.9 0.83 Allowed Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -90.91 152.43 20.73 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.428 -1.043 . . . . 0.0 109.436 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -160.73 -164.83 1.27 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.889 . . . . 0.0 109.532 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.56 HE22 ' CG ' ' A' ' 8' ' ' ASN . 30.0 tt0 -147.44 126.35 12.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.274 -0.891 . . . . 0.0 109.442 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.04 -163.71 0.52 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.305 -0.872 . . . . 0.0 109.98 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -78.74 -18.11 54.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.545 -0.722 . . . . 0.0 109.792 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 9.6 m-20 -80.35 -6.65 58.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.15 -0.969 . . . . 0.0 109.919 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.44 -23.2 23.27 Favored Glycine 0 N--CA 1.496 2.653 0 C-N-CA 120.139 -1.029 . . . . 0.0 110.799 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NH1' ' CH2' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -67.93 153.7 43.17 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.753 -1.439 . . . . 0.0 108.879 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -79.47 159.02 27.15 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.306 -0.871 . . . . 0.0 109.495 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -142.47 118.28 10.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.441 -0.787 . . . . 0.0 109.033 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 48.2 t80 -104.51 103.92 13.69 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -99.41 134.13 42.72 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.592 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 43.3 p90 -156.83 148.09 22.16 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.98 -1.075 . . . . 0.0 110.341 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.65 116.37 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 33' ' ' PHE . 10.1 p30 -79.86 173.81 12.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.199 -0.938 . . . . 0.0 109.644 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.1 m -68.63 13.62 0.09 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.307 -0.871 . . . . 0.0 110.114 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.7 m-85 -98.87 -31.68 11.72 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.208 -0.933 . . . . 0.0 108.813 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.05 26.62 6.94 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -143.56 118.79 6.28 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.502 -0.999 . . . . 0.0 108.684 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -42.35 154.61 0.12 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.81 1.673 . . . . 0.0 112.36 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.1 tt0 -130.49 135.0 47.52 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.56 -0.712 . . . . 0.0 109.194 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -100.88 134.84 43.26 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.69 0.757 . . . . 0.0 111.247 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.4 t -136.98 115.84 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -102.2 160.71 14.29 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.202 -0.936 . . . . 0.0 111.45 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -170.38 160.8 7.78 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 77.7 m95 -106.52 -29.63 9.55 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.116 -0.99 . . . . 0.0 108.746 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -101.34 138.46 38.33 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.52 -0.737 . . . . 0.0 110.04 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CB ' ' NH2' ' A' ' 11' ' ' ARG . 34.0 tp -84.7 -23.72 29.25 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -145.03 157.33 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 61.35 0.92 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.055 -1.028 . . . . 0.0 111.003 -177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 p -147.04 -33.39 0.29 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -67.79 -169.12 0.11 Allowed 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.447 -0.783 . . . . 0.0 108.933 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.3 -160.63 1.08 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.197 -0.939 . . . . 0.0 109.303 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 50' ' ' VAL . 23.9 m -153.5 134.54 8.35 Favored Pre-proline 0 N--CA 1.496 1.825 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -37.51 148.9 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.843 1.696 . . . . 0.0 112.926 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.1 127.1 29.72 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.398 -0.814 . . . . 0.0 109.949 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.14 -5.02 41.56 Favored Glycine 0 N--CA 1.501 3.027 0 O-C-N 121.216 -0.928 . . . . 0.0 110.788 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.617 ' NZ ' ' CE2' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -85.92 164.06 17.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.852 -1.381 . . . . 0.0 108.874 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -79.12 112.78 16.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.003 -1.06 . . . . 0.0 108.388 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.52 159.13 6.74 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 0.0 110.296 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.72 164.27 8.05 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.575 HD12 ' CB ' ' A' ' 62' ' ' GLU . 8.7 pt -70.63 -163.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 p -96.77 156.02 16.53 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.04 -39.94 60.35 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.382 -0.824 . . . . 0.0 109.448 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -60.12 -31.3 69.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.87 . . . . 0.0 110.322 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.575 ' CB ' HD12 ' A' ' 58' ' ' ILE . 30.1 mt-10 -75.2 -39.41 60.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.478 -1.389 . . . . 0.0 108.318 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HG2' HD11 ' A' ' 58' ' ' ILE . 63.8 mttt -66.23 -52.52 46.94 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.8 mt -52.04 -40.38 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.61 -35.29 63.25 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.406 -0.809 . . . . 0.0 110.148 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.64 -34.48 67.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.015 -1.053 . . . . 0.0 109.25 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 18.5 mt -69.95 -21.75 63.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.51 -0.744 . . . . 0.0 109.159 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -81.42 7.69 11.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.433 -0.792 . . . . 0.0 109.116 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -163.4 -95.57 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.396 -0.815 . . . . 0.0 109.157 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' CG ' ' H ' ' A' ' 71' ' ' ILE . 0.8 OUTLIER -154.1 -89.82 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.119 -0.988 . . . . 0.0 109.34 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.481 ' H ' ' CG ' ' A' ' 70' ' ' ASP . 10.9 mt . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.263 -0.898 . . . . 0.0 109.177 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.627 1 O4'-C1'-N19 112.423 5.778 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.461 ' N1 ' ' N3 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.683 3.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.459 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.066 1 O4'-C1'-N19 111.602 4.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.571 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.284 0 O4'-C1'-N19 110.697 3.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.61 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 110.991 3.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.61 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.846 1 O4'-C1'-N19 111.725 4.906 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.487 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.594 1 O4'-C1'-N19 111.188 4.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.61 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.61 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.633 0 O4'-C1'-N19 110.969 3.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.633 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.633 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.139 1 O4'-C1'-N19 111.423 4.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.457 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.429 3.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.632 3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.615 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.615 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.166 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.536 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.275 1 O4'-C1'-N19 111.753 4.941 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.619 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.454 0 O4'-C1'-N19 110.366 3.207 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.619 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.812 1 O4'-C1'-N19 111.21 4.262 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.589 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C1'-N19 110.56 3.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.402 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.454 3.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.604 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.218 4.272 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.671 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.671 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.923 1 O4'-C1'-N19 111.532 4.665 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.595 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.609 1 O4'-C1'-N19 111.419 4.524 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.593 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.757 3.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.44 173.13 11.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.179 -0.951 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -85.36 -154.99 0.21 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.415 -0.803 . . . . 0.0 109.572 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HG2' HD13 ' A' ' 12' ' ' ILE . 12.0 mtt180 -128.7 173.84 9.96 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 9' ' ' ARG . 25.6 p-10 -82.72 -155.5 0.16 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.116 -0.99 . . . . 0.0 109.655 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.688 ' N ' HE22 ' A' ' 19' ' ' GLN . 13.1 m120 -77.69 -6.3 53.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.378 -0.826 . . . . 0.0 109.495 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.572 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -107.29 -110.87 0.3 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.404 -0.81 . . . . 0.0 109.09 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.12 7.55 1.19 Allowed Glycine 0 N--CA 1.497 2.726 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.593 ' NH2' HD23 ' A' ' 44' ' ' LEU . 11.7 ptm180 -86.42 151.07 23.84 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.638 -0.919 . . . . 0.0 109.604 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.405 HD13 ' HG2' ' A' ' 6' ' ' ARG . 5.5 mm -87.32 135.62 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.268 -0.895 . . . . 0.0 110.767 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.96 166.26 13.12 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -90.08 149.53 22.46 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.969 -1.082 . . . . 0.0 108.795 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -45.33 150.7 0.42 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.044 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' N ' ' OP2' ' B' ' 103' ' ' ' DG' . . . 88.01 -36.22 3.42 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -88.22 156.45 19.21 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.251 -1.147 . . . . 0.0 110.239 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 p -173.01 -164.14 0.23 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.688 HE22 ' N ' ' A' ' 8' ' ' ASN . 3.9 pt20 -141.13 138.32 33.39 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.114 -0.991 . . . . 0.0 108.928 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.636 HH12 ' N6 ' ' C' ' 120' ' ' ' DA' . 13.8 ttp180 -77.99 -151.08 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.949 . . . . 0.0 109.787 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -89.72 -20.66 23.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.444 -0.785 . . . . 0.0 109.834 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' OD1' ' NH2' ' A' ' 20' ' ' ARG . 4.4 m-20 -80.55 3.54 21.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.0 110.173 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.42 -16.5 18.01 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' NH1' ' H71' ' C' ' 119' ' ' ' DT' . 9.9 ptp180 -68.46 156.22 38.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -1.196 . . . . 0.0 109.14 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -77.23 152.75 34.57 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 tp -141.58 130.73 23.39 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.526 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.4 t80 -131.99 95.14 3.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.576 -0.702 . . . . 0.0 109.124 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -101.48 140.2 36.1 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 55.6 p90 -153.45 152.38 30.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.852 -1.155 . . . . 0.0 110.315 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.7 mm -77.76 119.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 10.2 p-10 -80.25 38.06 0.4 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.201 -0.937 . . . . 0.0 110.24 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 57.3 3.69 0.17 Allowed 'General case' 0 C--N 1.293 -1.883 0 O-C-N 121.728 -0.608 . . . . 0.0 110.502 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.438 ' H ' ' C ' ' A' ' 31' ' ' ASP . 14.8 m-85 -97.1 -29.82 13.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.111 -0.993 . . . . 0.0 108.725 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.86 32.8 1.98 Allowed Glycine 0 N--CA 1.497 2.764 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -157.55 109.76 1.83 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.392 -1.064 . . . . 0.0 108.812 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -42.73 158.98 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.091 1.861 . . . . 0.0 113.005 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -130.15 98.54 4.77 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.407 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 4.7 m-85 -72.17 142.86 49.07 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-O 121.989 0.9 . . . . 0.0 112.026 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.19 119.71 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 N-CA-C 106.495 -1.669 . . . . 0.0 106.495 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -103.16 142.27 34.43 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.052 -1.03 . . . . 0.0 111.308 -177.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -163.39 162.11 24.73 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -109.5 -35.57 6.2 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.108 -0.995 . . . . 0.0 108.666 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 8.7 mtmt -96.37 127.92 42.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 110.105 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.593 HD23 ' NH2' ' A' ' 11' ' ' ARG . 43.7 tp -74.99 -17.23 60.56 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -145.1 153.03 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' N ' ' HB3' ' A' ' 59' ' ' SER . . . -76.32 63.56 1.96 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.182 -0.949 . . . . 0.0 109.492 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 m -150.3 -34.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -163.28 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.429 -0.794 . . . . 0.0 109.3 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -128.72 -161.12 1.08 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.363 -0.836 . . . . 0.0 109.483 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 50' ' ' VAL . 29.7 m -156.86 121.75 2.38 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.449 -0.782 . . . . 0.0 109.222 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -43.53 143.47 2.55 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.842 1.694 . . . . 0.0 112.507 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.18 154.79 7.4 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.472 -0.767 . . . . 0.0 109.682 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.06 -15.29 56.38 Favored Glycine 0 N--CA 1.495 2.596 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.2 mptt -87.47 153.08 21.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.115 -1.226 . . . . 0.0 109.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' NH1' " O3'" ' B' ' 112' ' ' ' DT' . 11.9 tpt180 -80.7 146.54 31.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 108.735 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -75.69 158.9 31.72 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 110.17 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -175.27 153.93 1.64 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 62' ' ' GLU . 5.7 pt -72.37 153.82 7.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 O-C-N 120.808 -1.183 . . . . 0.0 108.064 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.431 ' HB3' ' N ' ' A' ' 46' ' ' ALA . 8.7 p -48.15 170.16 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.186 -0.946 . . . . 0.0 110.096 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.569 ' HG ' HD12 ' A' ' 64' ' ' ILE . 18.9 tp -68.6 -42.94 77.44 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' NH1' ' HG2' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -60.59 -25.78 66.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.33 -0.856 . . . . 0.0 109.704 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.488 ' HB3' HD12 ' A' ' 58' ' ' ILE . 10.2 mm-40 -76.7 -41.91 43.52 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 120.644 -1.285 . . . . 0.0 107.814 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -66.33 -62.33 1.53 Allowed 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.569 HD12 ' HG ' ' A' ' 60' ' ' LEU . 2.4 mt -42.49 -42.73 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.18 -40.19 67.29 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.21 -0.931 . . . . 0.0 110.321 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -73.95 -35.63 64.55 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.941 -1.1 . . . . 0.0 109.512 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 69' ' ' LYS . 14.8 mt -67.4 -30.0 69.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.26 -0.9 . . . . 0.0 109.265 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -79.75 27.8 0.28 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.197 -0.94 . . . . 0.0 108.532 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 67' ' ' LEU . 37.2 mttp -155.75 -113.4 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -158.26 -45.72 0.06 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.199 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.2 tp . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.463 1 O4'-C1'-N19 112.308 5.635 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.67 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.878 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.67 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.916 1 O4'-C1'-N19 111.32 4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.554 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.041 0 O4'-C1'-N19 110.563 3.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.08 4.1 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.544 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.544 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.261 4.326 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.592 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.822 0 O4'-C1'-N19 110.641 3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.592 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.506 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.506 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.055 1 O4'-C1'-N19 111.415 4.518 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.432 " O3'" ' NH1' ' A' ' 55' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.677 0 C3'-C2'-C1' 106.972 3.051 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.501 0 C3'-C2'-C1' 106.987 3.062 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.482 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.62 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.028 1 O4'-C1'-N19 111.81 5.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.62 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.124 1 O4'-C1'-N19 112.535 5.919 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.585 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.907 0 O4'-C1'-N19 110.442 3.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.585 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.56 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.636 ' N6 ' HH12 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O4'-C1'-N19 110.907 3.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.48 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.671 0 O4'-C1'-N19 110.453 3.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.74 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.688 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 O4'-C1'-N19 110.521 3.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.688 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.465 4.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.598 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.553 1 O4'-C1'-N19 111.359 4.449 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.598 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HG3' HD12 ' A' ' 12' ' ' ILE . 21.6 tptt -67.8 -65.32 0.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.289 -0.882 . . . . 0.0 109.043 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 4' ' ' LYS . 36.9 ttm180 58.5 150.06 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.349 0.595 . . . . 0.0 110.012 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -135.09 160.55 37.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.445 -0.784 . . . . 0.0 109.692 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 15.1 p-10 -81.76 176.45 9.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.315 -0.866 . . . . 0.0 109.396 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.484 ' ND2' ' OE1' ' A' ' 19' ' ' GLN . 58.7 m-20 -73.65 33.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.208 -0.932 . . . . 0.0 109.503 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 7' ' ' ASP . 6.6 mmt180 -135.3 -56.92 0.8 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.397 -0.814 . . . . 0.0 109.291 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.51 -0.15 0.18 Allowed Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 -81.47 -164.84 0.83 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.288 . . . . 0.0 109.391 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.474 HD12 ' HG3' ' A' ' 4' ' ' LYS . 5.8 mm -126.06 121.75 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.447 -0.783 . . . . 0.0 109.742 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 mt -90.39 139.52 30.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.16 -0.963 . . . . 0.0 108.867 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' THR . 11.8 mmtp -89.06 164.86 14.87 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.107 -0.996 . . . . 0.0 108.935 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.507 ' C ' ' H ' ' A' ' 17' ' ' GLU . 2.7 t -48.83 172.35 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.983 -1.073 . . . . 0.0 108.87 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.76 -42.2 0.34 Allowed Glycine 0 N--CA 1.488 2.16 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 15' ' ' THR . 52.3 mt-10 -91.18 148.65 22.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.248 -1.148 . . . . 0.0 109.778 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -165.36 -138.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.847 . . . . 0.0 109.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.484 ' OE1' ' ND2' ' A' ' 8' ' ' ASN . 3.4 tt0 -157.76 132.54 8.56 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.214 -0.929 . . . . 0.0 109.695 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.541 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 7.2 ttp180 -75.6 -152.87 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.828 0.823 . . . . 0.0 110.453 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.6 mtpm? -95.56 -25.06 16.33 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.772 -0.58 . . . . 0.0 109.916 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' OD2' ' NH2' ' A' ' 20' ' ' ARG . 70.8 m-20 -82.6 10.98 6.3 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.197 -0.939 . . . . 0.0 109.904 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . 82.27 -18.06 15.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.596 ' NH1' ' H71' ' C' ' 119' ' ' ' DT' . 11.4 ptp180 -67.36 155.67 38.36 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.96 -1.318 . . . . 0.0 109.018 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -73.99 145.14 44.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.034 -1.041 . . . . 0.0 109.77 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -124.9 124.97 43.2 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 38.9 t80 -115.39 97.04 5.94 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -95.01 127.86 41.4 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 21.4 p90 -155.86 153.0 29.03 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 110.205 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.7 mm -91.94 123.27 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.527 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -79.39 169.78 17.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.032 -1.043 . . . . 0.0 109.976 -179.348 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -65.57 8.37 0.18 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.539 -0.726 . . . . 0.0 110.159 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 31' ' ' ASP . 21.6 m-85 -98.08 -29.2 13.39 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.105 -0.997 . . . . 0.0 108.804 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.44 28.43 6.75 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -137.0 114.39 9.95 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.68 -0.894 . . . . 0.0 109.199 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -43.62 137.37 6.09 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.731 1.621 . . . . 0.0 112.267 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.527 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 7.5 tt0 -121.8 134.37 54.91 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.576 -0.703 . . . . 0.0 109.369 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.84 135.55 43.2 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.567 0.698 . . . . 0.0 110.903 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.58 112.07 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -101.43 153.44 19.68 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.197 -0.94 . . . . 0.0 111.362 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.34 169.27 14.24 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -113.87 -36.83 4.69 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.191 -0.943 . . . . 0.0 109.72 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -91.63 120.08 32.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.31 -33.38 75.83 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -137.84 157.14 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.78 66.14 0.35 Allowed 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 119.341 -0.944 . . . . 0.0 109.771 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 45' ' ' VAL . 9.2 m -152.43 -30.95 0.15 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -163.69 0.06 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.471 -0.768 . . . . 0.0 109.559 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -130.77 -172.07 2.72 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.483 -0.76 . . . . 0.0 109.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 50' ' ' VAL . 28.3 m -156.61 134.18 6.88 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.289 -0.882 . . . . 0.0 109.563 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -40.01 133.73 1.88 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 121.827 1.684 . . . . 0.0 112.025 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.52 -32.13 64.78 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.205 -0.935 . . . . 0.0 110.652 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.9 -7.73 86.47 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 54' ' ' LYS . 3.9 mptt -92.09 162.44 14.35 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.076 -1.25 . . . . 0.0 109.282 -179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -79.29 117.07 19.94 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.435 -0.79 . . . . 0.0 109.86 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -54.9 151.16 9.01 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.247 -0.908 . . . . 0.0 108.949 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -165.05 167.4 18.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.144 -0.973 . . . . 0.0 109.358 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.59 HD11 ' HG2' ' A' ' 63' ' ' LYS . 10.0 pt -70.87 -162.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' GLU . 3.8 p -100.25 145.13 28.46 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 27' ' ' TYR . 17.3 tp -45.89 -38.15 7.11 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -59.3 -30.86 68.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.337 -0.852 . . . . 0.0 109.691 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' CB ' HD12 ' A' ' 58' ' ' ILE . 61.1 mm-40 -77.36 -40.72 42.93 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.891 -1.131 . . . . 0.0 108.556 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HG2' HD11 ' A' ' 58' ' ' ILE . 75.6 mttt -64.78 -40.62 95.55 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 mt -61.21 -45.71 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.52 -26.81 55.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.446 -0.784 . . . . 0.0 110.282 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.97 -36.96 67.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.972 -1.08 . . . . 0.0 109.287 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.31 -27.19 65.16 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.433 -0.792 . . . . 0.0 109.371 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -83.16 -32.41 26.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.456 -0.778 . . . . 0.0 110.325 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -77.49 -121.97 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.727 -1.233 . . . . 0.0 109.613 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -161.41 83.23 0.62 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.464 -0.772 . . . . 0.0 109.803 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.3 mm . . . . . 0 N--CA 1.495 1.801 0 O-C-N 120.943 -1.098 . . . . 0.0 109.419 179.755 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 1 O4'-C1'-N19 111.694 4.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.568 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.824 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.568 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.532 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.584 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.444 0 O4'-C1'-N19 110.699 3.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.869 3.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.593 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.618 1 O4'-C1'-N19 111.642 4.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.531 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.305 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.642 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.631 3.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.642 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.332 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.559 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.559 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.226 1 O4'-C1'-N19 111.48 4.6 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.431 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.854 0 O4'-C1'-N19 110.421 3.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.331 3.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.639 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.54 3.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.639 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.569 1 O4'-C1'-N19 111.069 4.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.653 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.653 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.57 4.712 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.576 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.539 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.596 ' H71' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.827 3.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.538 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.717 0 C3'-C2'-C1' 107.318 3.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.54 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.801 1 O4'-C1'-N19 111.374 4.467 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.64 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.443 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.64 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.832 5.041 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.571 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.266 4.332 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.571 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' NZ ' HG21 ' A' ' 12' ' ' ILE . 8.0 tptp -83.79 103.09 12.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.06 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -80.64 162.44 24.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.165 -0.959 . . . . 0.0 109.533 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.695 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -126.6 153.53 45.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.513 -0.742 . . . . 0.0 109.376 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 24.1 p-10 -82.41 -171.28 3.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.299 -0.875 . . . . 0.0 109.323 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -85.73 15.38 4.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 109.556 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.03 -88.04 0.55 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.527 -0.733 . . . . 0.0 109.45 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.18 -2.26 0.06 OUTLIER Glycine 0 N--CA 1.493 2.456 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.702 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.88 -170.26 2.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.82 -1.4 . . . . 0.0 108.275 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 HG21 ' NZ ' ' A' ' 4' ' ' LYS . 4.3 mm -129.62 130.1 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.324 -0.86 . . . . 0.0 109.362 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -90.41 141.27 28.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.37 -0.831 . . . . 0.0 109.303 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -89.21 175.61 7.29 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.139 -0.976 . . . . 0.0 108.685 179.774 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 t -67.54 57.28 0.06 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.071 -1.018 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . -169.26 -34.86 0.02 OUTLIER Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' A' ' 18' ' ' SER . 49.3 mt-10 -90.73 150.86 21.46 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.379 -1.071 . . . . 0.0 110.102 -179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 17' ' ' GLU . 6.0 m -166.99 -154.76 0.17 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' OE1' ' N ' ' A' ' 19' ' ' GLN . 1.1 pm0 -155.31 155.58 33.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.982 -1.074 . . . . 0.0 110.081 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.654 HH12 ' N6 ' ' B' ' 105' ' ' ' DA' . 2.5 mmp_? -90.87 -162.87 0.95 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.423 -0.798 . . . . 0.0 109.699 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -76.11 -21.12 57.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.571 -0.706 . . . . 0.0 109.764 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.03 -1.46 44.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.256 -0.903 . . . . 0.0 109.915 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.11 -9.98 64.79 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.41 157.12 34.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.162 -1.199 . . . . 0.0 108.544 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -79.88 153.28 29.14 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.055 -1.028 . . . . 0.0 109.928 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -141.87 115.45 9.05 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -107.94 106.56 16.87 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' NZ ' ' CZ ' ' A' ' 38' ' ' PHE . 3.3 tttp -96.91 139.49 32.86 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.531 ' OH ' ' NE2' ' A' ' 37' ' ' GLN . 23.8 p90 -154.14 129.8 10.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.95 -1.094 . . . . 0.0 109.76 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.81 117.58 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.527 -0.733 . . . . 0.0 109.114 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 33' ' ' PHE . 8.2 p30 -80.14 171.39 15.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.186 -0.946 . . . . 0.0 109.666 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 t -66.7 11.11 0.1 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.419 -0.8 . . . . 0.0 110.004 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 31' ' ' ASP . 32.3 m-85 -98.7 -29.51 12.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.192 -0.942 . . . . 0.0 108.768 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.35 30.39 5.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 108.919 -1.672 . . . . 0.0 108.919 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.82 116.97 5.36 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.415 -1.05 . . . . 0.0 109.127 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 99.9 Cg_exo -42.33 137.81 3.46 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 121.87 1.713 . . . . 0.0 112.515 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.531 ' NE2' ' OH ' ' A' ' 29' ' ' TYR . 40.6 tt0 -113.71 142.63 45.79 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.54 -0.725 . . . . 0.0 109.147 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.506 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 11.5 m-85 -101.22 134.22 44.6 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.283 -0.886 . . . . 0.0 111.267 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 t -133.12 118.79 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -102.57 162.47 12.9 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.088 -1.007 . . . . 0.0 111.94 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -177.54 154.06 0.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -106.99 -30.18 8.99 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.17 -0.956 . . . . 0.0 108.661 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -96.24 118.7 33.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.478 -0.764 . . . . 0.0 110.022 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.61 -22.74 66.7 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.13 158.41 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.207 -0.933 . . . . 0.0 108.762 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.6 60.56 2.17 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.383 -0.823 . . . . 0.0 111.01 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -144.99 -38.95 0.26 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.75 -163.48 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -141.07 162.49 35.35 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.045 -1.035 . . . . 0.0 109.169 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.8 m -83.66 130.3 56.31 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.662 -0.649 . . . . 0.0 109.441 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -40.26 138.39 1.26 Allowed 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 121.813 1.675 . . . . 0.0 112.328 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.98 137.46 21.17 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.247 -0.908 . . . . 0.0 109.503 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.25 -22.08 42.72 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.5 mptt -88.45 161.65 16.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.253 -1.145 . . . . 0.0 109.151 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.527 HH11 ' HG2' ' A' ' 55' ' ' ARG . 2.9 mtt-85 -80.85 177.34 9.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.799 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -87.55 158.73 18.84 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.883 . . . . 0.0 109.772 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.24 145.41 0.77 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.359 -0.838 . . . . 0.0 109.187 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.675 HD12 ' HB3' ' A' ' 62' ' ' GLU . 11.8 pt -72.77 152.62 7.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -52.12 156.75 1.52 Allowed 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.179 -0.951 . . . . 0.0 108.876 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -59.85 -36.96 77.94 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.181 -0.949 . . . . 0.0 108.584 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HG2' ' NH1' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -55.59 -28.73 56.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.326 -0.859 . . . . 0.0 110.033 -179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.675 ' HB3' HD12 ' A' ' 58' ' ' ILE . 36.3 mt-10 -76.21 -44.66 36.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.556 -1.34 . . . . 0.0 108.128 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' HG2' HD11 ' A' ' 58' ' ' ILE . 70.7 mttt -61.6 -59.02 5.84 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' ' 60' ' ' LEU . 11.5 mt -42.92 -44.45 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-O 121.414 0.626 . . . . 0.0 109.674 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.71 -37.13 65.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.332 -0.855 . . . . 0.0 110.246 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -74.0 -38.41 64.11 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.121 -0.987 . . . . 0.0 109.355 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.85 -21.2 63.38 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.543 -0.723 . . . . 0.0 109.725 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -82.08 -44.27 16.78 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.277 -0.889 . . . . 0.0 110.467 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -76.27 -130.33 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.298 0 O-C-N 120.843 -1.16 . . . . 0.0 109.355 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -164.7 72.04 0.2 Allowed 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.648 -0.658 . . . . 0.0 109.699 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 71' ' ' ILE . 11.6 tt . . . . . 0 N--CA 1.495 1.805 0 O-C-N 120.857 -1.152 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-N19 111.945 5.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.593 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.451 3.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.593 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.591 1 O4'-C1'-N19 111.74 4.925 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.625 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.253 0 O4'-C1'-N19 110.475 3.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.654 ' N6 ' HH12 ' A' ' 20' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.872 3.84 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.564 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.499 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.564 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.286 1 O4'-C1'-N19 111.658 4.823 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.656 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 110.661 3.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.656 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.322 1 O4'-C1'-N19 111.244 4.305 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.551 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.848 1 O4'-C1'-N19 111.001 4.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.456 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.161 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.673 3.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.878 0 O4'-C1'-N19 110.283 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.603 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.485 3.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.603 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.541 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.802 5.003 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.649 " H2'" ' H72' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.162 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.649 ' H72' " H2'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.974 0 O4'-C1'-N19 110.422 3.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.462 ' N3 ' ' N1 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.033 4.042 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.532 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.57 H2'' " O5'" ' C' ' 122' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.829 0 C3'-C2'-C1' 107.249 3.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.57 " O5'" H2'' ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.469 4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.633 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.61 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.633 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.996 1 O4'-C1'-N19 111.586 4.733 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.546 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.544 1 O4'-C1'-N19 111.363 4.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.546 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.638 3.548 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 3' ' ' GLU . 2.9 mp0 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.309 0.576 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -51.24 150.69 3.2 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.309 -0.87 . . . . 0.0 110.207 -179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -84.13 172.51 11.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.108 -0.995 . . . . 0.0 109.189 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.02 159.74 34.1 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.476 -0.765 . . . . 0.0 109.126 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.547 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 48.7 p-10 -81.7 -162.86 0.57 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.097 -1.002 . . . . 0.0 110.097 -179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -87.76 -10.29 51.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.617 -0.677 . . . . 0.0 109.53 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -102.07 -91.01 0.34 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.275 -0.891 . . . . 0.0 109.38 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.9 11.96 0.07 OUTLIER Glycine 0 N--CA 1.491 2.333 0 C-N-CA 118.871 -1.633 . . . . 0.0 111.199 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.547 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 10.1 ptp180 -83.8 -163.71 0.81 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.602 -1.528 . . . . 0.0 108.436 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mm -137.45 120.03 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.161 -0.962 . . . . 0.0 108.616 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.817 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.6 mp -87.46 163.83 16.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.032 -1.043 . . . . 0.0 108.678 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -90.96 162.01 14.92 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.111 -0.993 . . . . 0.0 108.793 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 16' ' ' GLY . 24.1 m -47.95 161.5 0.1 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.994 -1.066 . . . . 0.0 109.236 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.511 ' N ' HG22 ' A' ' 15' ' ' THR . . . 87.65 -49.06 3.81 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' OE1' ' CD1' ' A' ' 27' ' ' TYR . 2.7 mm-40 -88.47 154.15 20.59 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.169 -1.195 . . . . 0.0 110.008 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 p 179.53 148.44 0.26 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.569 -0.707 . . . . 0.0 109.108 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -82.79 150.71 26.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.041 -1.037 . . . . 0.0 109.693 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.49 HH21 ' CG ' ' A' ' 22' ' ' ASP . 21.5 ttp180 -95.92 -141.35 0.27 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.27 -0.894 . . . . 0.0 109.58 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -94.03 -27.03 16.53 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.441 -0.787 . . . . 0.0 109.971 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.49 ' CG ' HH21 ' A' ' 20' ' ' ARG . 3.2 m-20 -83.49 10.47 8.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.166 -0.959 . . . . 0.0 109.946 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.53 -8.04 22.03 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.597 ' NH2' ' P ' ' C' ' 118' ' ' ' DT' . 97.3 mtt180 -69.23 147.2 51.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.392 -1.063 . . . . 0.0 109.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -76.47 132.61 39.71 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 177.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tt -123.9 139.58 53.82 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.45 -0.782 . . . . 0.0 109.548 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CD1' ' OE1' ' A' ' 17' ' ' GLU . 22.9 t80 -134.45 103.7 5.81 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -92.79 138.09 31.8 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.442 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 30.8 p90 -156.37 127.44 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.877 -1.14 . . . . 0.0 110.171 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.31 119.71 10.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 33' ' ' PHE . 9.9 p30 -79.15 169.19 18.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.976 . . . . 0.0 109.917 -179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -65.28 8.1 0.17 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.873 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.505 ' H ' ' C ' ' A' ' 31' ' ' ASP . 29.9 m-85 -97.99 -28.87 13.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.5 31.92 5.35 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -139.85 114.79 7.9 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.997 . . . . 0.0 109.517 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -44.44 132.08 9.5 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.756 1.637 . . . . 0.0 112.119 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -114.91 146.79 40.77 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.595 -0.691 . . . . 0.0 109.418 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 9.2 m-85 -110.25 142.12 42.28 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.456 -0.778 . . . . 0.0 110.465 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 t -131.3 113.89 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -102.79 144.95 30.48 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.315 -0.865 . . . . 0.0 110.775 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.45 154.19 9.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -97.02 -39.52 9.31 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.98 -1.075 . . . . 0.0 109.028 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -93.42 132.93 37.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.76 -0.588 . . . . 0.0 110.377 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 tp -77.87 -30.53 50.88 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.8 m -138.59 151.88 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.62 69.08 0.1 Allowed 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.095 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 45' ' ' VAL . 29.2 m -148.59 -43.59 0.15 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.47 -167.55 0.09 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -137.67 156.5 47.96 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.919 -1.113 . . . . 0.0 109.707 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.8 m -84.31 135.34 41.61 Favored Pre-proline 0 N--CA 1.496 1.85 0 O-C-N 121.527 -0.733 . . . . 0.0 109.428 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -43.2 132.99 6.44 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.68 1.587 . . . . 0.0 112.034 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.71 134.34 41.88 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.322 -0.861 . . . . 0.0 109.846 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.48 -16.96 56.12 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 110.019 -1.233 . . . . 0.0 110.019 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 7.4 mptt -88.79 171.25 10.09 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.139 -1.212 . . . . 0.0 109.683 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -77.79 166.51 22.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -85.47 149.17 25.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.38 -0.825 . . . . 0.0 109.426 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -167.21 153.48 8.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.858 . . . . 0.0 109.246 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.514 HD11 ' HG2' ' A' ' 63' ' ' LYS . 5.4 pt -71.21 -157.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 p -101.67 146.81 27.22 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 tp -46.38 -47.84 18.71 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -54.13 -31.22 51.64 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.487 -0.758 . . . . 0.0 109.815 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HB3' HD12 ' A' ' 58' ' ' ILE . 14.9 mm-40 -77.32 -38.28 50.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.854 -1.154 . . . . 0.0 108.356 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HG2' HD11 ' A' ' 58' ' ' ILE . 77.7 mttt -64.21 -41.3 97.1 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 178.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.94 -41.03 81.88 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.08 62.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.525 -0.734 . . . . 0.0 109.94 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.35 -38.72 68.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.065 -1.022 . . . . 0.0 108.704 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.77 -24.42 64.42 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -81.61 -33.21 31.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 0.0 109.105 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -74.1 -103.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.343 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 71' ' ' ILE . 7.5 p30 -156.65 -41.76 0.07 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.26 -0.9 . . . . 0.0 109.756 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.509 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 59.6 mt . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.241 -0.912 . . . . 0.0 108.543 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.542 1 O4'-C1'-N19 112.629 6.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.503 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.892 0 O4'-C1'-N19 110.69 3.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.503 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 111.565 4.706 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.553 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.342 0 O4'-C1'-N19 110.74 3.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.634 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.855 1 O4'-C1'-N19 111.28 4.35 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.634 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.859 1 O4'-C1'-N19 111.866 5.082 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.964 1 O4'-C1'-N19 111.212 4.264 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.612 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.612 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.356 4.445 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.453 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.922 0 O4'-C1'-N19 110.686 3.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.425 H2'' " O5'" ' B' ' 112' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.425 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.298 3.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.419 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.507 0 C3'-C2'-C1' 106.985 3.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.467 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C1'-N19 110.606 3.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.467 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.335 0 O4'-C1'-N19 110.731 3.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.681 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.621 3.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.681 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.179 1 O4'-C1'-N19 111.508 4.635 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.597 ' P ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.6 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.591 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.522 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.773 0 O4'-C1'-N19 110.354 3.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.585 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.635 1 O4'-C1'-N19 111.338 4.422 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.7 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.524 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.7 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.568 4.71 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.577 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.712 1 O4'-C1'-N19 111.438 4.548 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.459 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.875 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -155.46 124.73 6.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.198 -0.939 . . . . 0.0 109.833 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.462 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 30.1 ttm180 -85.63 170.49 12.49 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.731 -0.606 . . . . 0.0 109.452 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.655 ' CB ' HH11 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -137.52 157.4 46.62 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.398 -0.813 . . . . 0.0 109.846 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -84.0 -161.75 0.57 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.328 -0.858 . . . . 0.0 109.506 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.667 ' N ' HE22 ' A' ' 19' ' ' GLN . 6.7 p30 -82.8 16.67 2.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 109.505 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.593 ' CG ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -136.41 -104.22 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.386 -0.821 . . . . 0.0 109.339 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.17 3.66 1.49 Allowed Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -83.72 150.01 26.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -1.11 . . . . 0.0 109.131 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mm -96.89 126.64 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.206 -0.934 . . . . 0.0 110.259 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.3 mt -92.15 147.21 23.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.284 -0.885 . . . . 0.0 108.935 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -90.01 156.29 18.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.04 -1.037 . . . . 0.0 108.868 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 m -47.64 147.78 1.71 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.002 -1.061 . . . . 0.0 109.364 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.08 -43.17 1.88 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 2.7 mp0 -91.56 155.59 18.26 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.253 -1.145 . . . . 0.0 109.934 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.1 p -168.41 -162.8 0.42 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.147 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.667 HE22 ' N ' ' A' ' 8' ' ' ASN . 3.5 pt20 -140.11 143.19 36.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.204 -0.935 . . . . 0.0 109.369 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.57 HH22 ' N6 ' ' B' ' 105' ' ' ' DA' . 0.1 OUTLIER -85.43 -144.24 0.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.38 -0.825 . . . . 0.0 110.311 -179.033 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -95.41 -23.15 17.28 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.724 -0.61 . . . . 0.0 109.68 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.92 0.32 44.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.153 -0.967 . . . . 0.0 109.909 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.53 -17.95 41.05 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.624 ' NH1' ' H71' ' C' ' 119' ' ' ' DT' . 10.5 ptp180 -67.55 155.29 39.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.028 -1.278 . . . . 0.0 109.081 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.19 147.91 36.19 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.221 -0.924 . . . . 0.0 109.821 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 tp -136.57 115.71 12.47 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -105.56 107.91 19.15 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -100.99 138.39 38.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 34.5 p90 -155.0 142.15 19.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.907 -1.121 . . . . 0.0 109.984 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.0 mm -77.83 122.1 31.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 29' ' ' TYR . 1.6 m-20 -77.56 171.39 14.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.192 -0.942 . . . . 0.0 109.499 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.6 m -68.16 10.74 0.2 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.418 -0.801 . . . . 0.0 109.817 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASP . 42.3 m-85 -100.05 -32.36 10.98 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.245 -0.91 . . . . 0.0 108.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.39 32.13 3.8 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.026 -1.629 . . . . 0.0 109.026 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.64 116.22 6.92 Favored Pre-proline 0 N--CA 1.498 1.947 0 O-C-N 121.358 -1.083 . . . . 0.0 109.07 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -43.08 154.16 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.813 1.675 . . . . 0.0 112.159 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' OE1' ' OH ' ' A' ' 29' ' ' TYR . 9.7 tt0 -134.96 140.39 45.67 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.471 -0.768 . . . . 0.0 109.33 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE2' ' N4 ' ' C' ' 121' ' ' ' DC' . 8.1 m-85 -102.06 134.3 45.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.4 -0.812 . . . . 0.0 111.416 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.19 118.42 36.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 176.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -100.83 157.38 16.76 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.995 -1.066 . . . . 0.0 111.479 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.9 t -176.27 165.7 2.79 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -115.43 -32.39 5.61 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.227 -0.92 . . . . 0.0 108.959 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 58' ' ' ILE . 11.4 mtmm -95.26 131.11 41.68 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.522 -0.736 . . . . 0.0 110.266 -178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.08 -32.48 65.03 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.558 ' N ' ' OG ' ' A' ' 59' ' ' SER . 3.0 m -137.62 158.36 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.96 65.82 1.12 Allowed 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.25 -0.906 . . . . 0.0 109.617 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 m -150.02 -36.21 0.16 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.45 -161.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 49' ' ' ARG . 2.0 mmt-85 -136.03 -160.02 1.01 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 109.188 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 50' ' ' VAL . 28.8 m -156.91 118.03 2.11 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.292 -0.88 . . . . 0.0 109.553 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.43 144.1 5.06 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.86 1.707 . . . . 0.0 112.639 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.21 158.48 1.56 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.528 -0.733 . . . . 0.0 109.682 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.78 -18.95 40.2 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.0 mptt -87.96 150.0 23.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.297 -1.119 . . . . 0.0 109.021 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -80.06 121.27 25.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.187 -0.946 . . . . 0.0 109.177 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -51.34 154.88 1.58 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.24 -0.912 . . . . 0.0 109.846 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -174.89 160.79 2.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.382 -0.824 . . . . 0.0 108.97 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.585 HD12 ' CB ' ' A' ' 62' ' ' GLU . 10.8 pt -72.43 -176.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.558 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -85.5 144.97 27.63 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.997 -1.065 . . . . 0.0 108.439 178.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD22 HD11 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -48.02 -35.47 11.1 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 0.0 108.781 -179.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -56.36 -28.82 60.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.447 -0.783 . . . . 0.0 109.521 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.585 ' CB ' HD12 ' A' ' 58' ' ' ILE . 45.3 mm-40 -77.69 -48.51 16.56 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.888 -1.133 . . . . 0.0 108.712 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HG2' HD11 ' A' ' 58' ' ' ILE . 46.1 mttp -58.53 -45.28 89.2 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.515 HD11 HD22 ' A' ' 60' ' ' LEU . 9.9 mt -56.63 -43.33 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.61 -31.36 46.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.454 -0.779 . . . . 0.0 110.097 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -74.2 -38.32 63.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.041 -1.037 . . . . 0.0 109.276 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.89 -23.07 63.19 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.592 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -81.77 -44.55 16.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.913 . . . . 0.0 109.968 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -75.7 -115.61 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.937 -1.102 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -159.09 9.34 0.12 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.462 -0.774 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 N--CA 1.494 1.767 0 O-C-N 121.058 -1.026 . . . . 0.0 109.662 -179.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.761 4.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.53 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.021 0 O4'-C1'-N19 110.616 3.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.53 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.653 4.816 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.588 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.313 0 O4'-C1'-N19 110.646 3.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.588 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O4'-C1'-N19 110.913 3.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.595 H2'' " O5'" ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.128 1 O4'-C1'-N19 111.741 4.926 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.595 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.327 1 O4'-C1'-N19 111.461 4.576 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.638 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.7 3.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.638 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.072 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.572 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.111 4.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.572 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.383 1 O4'-C1'-N19 111.638 4.798 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.456 ' H72' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.391 3.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.162 0 O4'-C1'-N19 110.395 3.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 0 O4'-C1'-N19 110.489 3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.603 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.85 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.618 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.539 3.45 1 O4'-C1'-N19 111.893 5.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.618 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.615 4.769 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.562 ' P ' HH22 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.626 0 O4'-C1'-N19 110.639 3.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.624 ' H71' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.432 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.57 3.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.569 ' N4 ' ' CE2' ' A' ' 38' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 2.778 0 O4'-C1'-N19 110.417 3.271 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.541 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.836 1 O4'-C1'-N19 111.018 4.022 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.657 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.657 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.057 1 O4'-C1'-N19 111.59 4.737 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.591 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.45 4.563 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.587 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.032 0 O4'-C1'-N19 110.654 3.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.304 0.573 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.438 ' CG ' ' H ' ' A' ' 5' ' ' ARG . 3.0 tppt? -164.9 -127.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.857 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' HG3' HH11 ' A' ' 5' ' ' ARG . 13.6 mtm-85 -155.45 126.19 6.95 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.319 -0.863 . . . . 0.0 108.907 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -111.49 167.24 10.47 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.562 -0.711 . . . . 0.0 109.402 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 7' ' ' ASP . 23.4 p-10 -82.94 -171.37 3.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.211 -0.931 . . . . 0.0 109.733 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.565 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 19.8 m120 -64.0 -10.12 19.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 109.861 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -104.25 -97.36 0.32 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.312 -0.868 . . . . 0.0 109.463 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.68 14.9 0.24 Allowed Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 51.4 mtm180 -82.74 -176.25 6.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 0.0 108.849 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -117.9 118.65 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.394 -0.816 . . . . 0.0 109.973 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mt -88.77 142.51 27.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -89.13 161.57 16.42 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.028 -1.045 . . . . 0.0 109.017 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 16' ' ' GLY . 25.9 m -47.75 161.23 0.1 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.995 -1.066 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' N ' HG22 ' A' ' 15' ' ' THR . . . 77.4 -36.44 1.56 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 15' ' ' THR . 89.6 mt-10 -90.37 147.79 23.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.339 -1.095 . . . . 0.0 110.429 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.506 ' OG ' ' P ' ' B' ' 104' ' ' ' DT' . 23.1 t -166.71 -154.24 0.17 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.528 -0.732 . . . . 0.0 109.094 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.565 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 3.1 pt20 -144.36 134.32 23.95 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.947 -1.096 . . . . 0.0 110.263 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.558 ' NH2' ' N7 ' ' B' ' 106' ' ' ' DG' . 0.0 OUTLIER -83.69 154.81 23.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.607 -0.683 . . . . 0.0 109.235 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 3.2 mtpm? -43.67 -18.78 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.443 -0.786 . . . . 0.0 109.974 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 20' ' ' ARG . 87.9 m-20 -81.23 -2.48 48.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.849 . . . . 0.0 109.863 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.37 -21.52 12.97 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.485 HH12 ' H72' ' C' ' 119' ' ' ' DT' . 10.6 ptp180 -67.9 159.51 30.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.097 -1.237 . . . . 0.0 109.029 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 58.6 m-85 -80.61 151.91 28.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.128 -0.983 . . . . 0.0 109.628 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.579 ' C ' HD23 ' A' ' 26' ' ' LEU . 6.2 tt -139.21 112.09 7.9 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -102.96 103.02 13.1 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.814 0.816 . . . . 0.0 108.827 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -94.58 135.55 35.91 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 14.1 p90 -155.55 113.12 3.33 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.154 -0.966 . . . . 0.0 109.397 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.2 140.84 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.519 -0.738 . . . . 0.0 109.152 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 33' ' ' PHE . 14.8 p30 -84.31 169.0 15.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.513 -0.742 . . . . 0.0 109.972 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.9 m -62.09 2.23 0.25 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.332 -0.855 . . . . 0.0 109.677 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 31' ' ' ASP . 41.9 m-85 -97.52 -31.69 12.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.68 11.65 22.63 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -100.66 107.82 50.63 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 121.425 -1.044 . . . . 0.0 109.517 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -44.98 122.53 4.33 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.061 1.841 . . . . 0.0 112.58 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -105.21 134.44 48.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.447 -0.783 . . . . 0.0 109.005 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.96 141.39 44.48 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-O 121.724 0.773 . . . . 0.0 111.234 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -137.85 119.26 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -102.1 160.38 14.56 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.074 -1.016 . . . . 0.0 110.997 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -176.35 165.16 2.71 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -114.12 -34.94 5.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.216 -0.927 . . . . 0.0 108.554 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 57' ' ' ALA . 18.2 mtmt -94.04 130.47 40.17 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.544 -0.722 . . . . 0.0 109.744 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.5 tp -75.38 -27.79 59.24 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -139.13 150.78 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.21 65.15 0.39 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.22 -0.925 . . . . 0.0 110.034 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' VAL . 3.9 m -149.69 -35.0 0.17 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -66.48 -160.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -134.17 -170.23 2.48 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.157 -0.964 . . . . 0.0 109.39 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.2 m -155.94 135.8 8.34 Favored Pre-proline 0 N--CA 1.496 1.874 0 O-C-N 121.33 -0.857 . . . . 0.0 109.141 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HG2' ' HZ3' ' A' ' 54' ' ' LYS . 91.4 Cg_exo -40.73 130.88 2.73 Favored 'Trans proline' 0 N--CA 1.489 1.218 0 C-N-CA 121.699 1.6 . . . . 0.0 111.834 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.28 -29.44 58.16 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.196 -0.94 . . . . 0.0 110.485 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.39 -5.72 89.65 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.195 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HZ3' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -92.36 168.71 11.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.006 -1.291 . . . . 0.0 109.931 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' CA ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -79.0 143.63 35.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.641 -0.662 . . . . 0.0 109.31 -179.526 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -82.39 151.87 26.44 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 108.88 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . . . -173.15 156.36 3.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.143 -0.973 . . . . 0.0 109.374 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.712 HD12 ' HB3' ' A' ' 62' ' ' GLU . 10.7 pt -73.83 145.59 11.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -49.28 146.86 3.45 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.178 -0.951 . . . . 0.0 109.483 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -50.63 -32.46 19.04 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.591 -0.693 . . . . 0.0 109.445 -179.305 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -56.6 -31.98 64.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.039 -1.038 . . . . 0.0 109.686 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.712 ' HB3' HD12 ' A' ' 58' ' ' ILE . 45.3 mm-40 -77.11 -46.12 24.59 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.997 -1.064 . . . . 0.0 108.654 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -59.02 -44.02 91.67 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.483 ' CD1' HD22 ' A' ' 60' ' ' LEU . 12.9 mt -63.71 -40.74 90.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.98 -30.11 45.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.474 -0.766 . . . . 0.0 110.175 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -74.16 -40.37 62.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.997 -1.064 . . . . 0.0 109.008 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.55 -26.93 66.55 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -84.56 32.31 0.51 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.593 -0.692 . . . . 0.0 109.508 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -154.86 -117.52 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.283 -0.886 . . . . 0.0 109.432 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -160.72 98.37 1.22 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.181 -0.95 . . . . 0.0 109.464 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.249 -0.907 . . . . 0.0 109.249 179.698 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.337 1 O4'-C1'-N19 112.217 5.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.707 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.126 0 O4'-C1'-N19 110.548 3.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.707 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.502 4.628 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.506 ' P ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . 0 C5'--C4' 1.535 2.97 0 O4'-C1'-N19 110.693 3.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.656 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.889 1 O4'-C1'-N19 111.173 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.656 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.743 4.929 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.604 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.17 4.212 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.62 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.721 3.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.62 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.478 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.77 3.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.44 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.094 1 O4'-C1'-N19 111.011 4.013 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.842 0 O4'-C1'-N19 110.279 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.479 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.274 3.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.55 3.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.595 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.518 0 O4'-C1'-N19 110.477 3.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.595 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.049 1 O4'-C1'-N19 111.884 5.104 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.133 4.167 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.565 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.502 3.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.565 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.471 1 O4'-C1'-N19 111.125 4.156 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.527 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.527 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.625 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.895 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.699 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.686 3.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.699 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.101 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.616 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.626 1 O4'-C1'-N19 111.139 4.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.75 3.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 161.59 22.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.333 -0.855 . . . . 0.0 109.311 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -82.61 171.0 14.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.455 -0.778 . . . . 0.0 109.235 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -134.79 162.03 33.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.366 -0.834 . . . . 0.0 109.425 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD2' ' CZ ' ' A' ' 11' ' ' ARG . 21.7 p-10 -83.18 -157.78 0.25 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 0.0 109.679 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.604 ' ND2' ' NE2' ' A' ' 19' ' ' GLN . 34.8 m120 -87.51 19.09 3.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.21 -0.932 . . . . 0.0 110.15 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -135.13 -87.71 0.36 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.606 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.17 12.65 0.1 OUTLIER Glycine 0 N--CA 1.489 2.199 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.114 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' CZ ' ' OD2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -82.09 -171.4 3.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.97 -1.312 . . . . 0.0 108.527 179.592 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -129.75 109.22 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.487 -0.758 . . . . 0.0 109.894 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.0 mt -88.86 131.97 34.87 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.262 -0.899 . . . . 0.0 108.652 178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.16 172.21 9.25 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.06 -1.025 . . . . 0.0 109.068 -179.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 16' ' ' GLY . 85.6 m -47.86 157.44 0.27 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 109.639 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 15' ' ' THR . . . 77.09 -40.0 1.66 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 15' ' ' THR . 17.8 mp0 -88.51 132.03 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.121 -1.223 . . . . 0.0 109.521 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -156.98 -156.39 0.6 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.0 109.13 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.604 ' NE2' ' ND2' ' A' ' 8' ' ' ASN . 12.0 pt20 -153.71 146.64 24.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.204 -0.935 . . . . 0.0 109.316 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.47 HH21 ' CG ' ' A' ' 22' ' ' ASP . 13.1 ttp180 -76.97 -149.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 0.0 109.707 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -95.19 -27.34 15.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.763 . . . . 0.0 109.754 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' CG ' HH21 ' A' ' 20' ' ' ARG . 13.5 m-20 -83.81 15.88 3.06 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.226 -0.921 . . . . 0.0 109.608 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.05 4.91 86.72 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' CG ' ' CH2' ' A' ' 42' ' ' TRP . 93.7 mtt180 -68.76 126.28 29.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.419 -1.048 . . . . 0.0 109.796 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -74.54 135.94 42.15 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 26' ' ' LEU . 1.1 pp -140.9 152.08 44.77 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.056 -1.028 . . . . 0.0 110.152 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -131.7 115.47 16.07 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -98.75 142.4 30.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.701 -0.624 . . . . 0.0 109.377 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 7.8 p90 -153.26 132.62 12.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.969 -1.082 . . . . 0.0 109.375 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mm -77.66 123.38 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.542 ' OD2' ' NE2' ' A' ' 37' ' ' GLN . 1.1 m-20 -77.62 -177.26 4.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.029 -1.045 . . . . 0.0 109.532 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -72.44 0.65 9.68 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.318 -0.864 . . . . 0.0 110.243 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -94.57 -26.91 16.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.282 -0.886 . . . . 0.0 109.239 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.05 17.48 22.65 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.83 111.47 41.1 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.719 -0.871 . . . . 0.0 109.566 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.74 146.72 2.13 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.932 1.755 . . . . 0.0 112.296 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.542 ' NE2' ' OD2' ' A' ' 31' ' ' ASP . 23.0 tt0 -129.48 132.16 46.86 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.536 ' HE1' ' H73' ' C' ' 122' ' ' ' DT' . 13.7 m-85 -97.27 150.48 20.89 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.112 -0.992 . . . . 0.0 111.732 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.37 101.72 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -96.54 169.86 9.61 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.087 -1.008 . . . . 0.0 111.83 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 42' ' ' TRP . 1.1 p -173.85 -158.27 0.09 Allowed 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.452 ' N ' ' OG ' ' A' ' 41' ' ' SER . 56.5 m95 -140.8 -32.68 0.56 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.928 -1.107 . . . . 0.0 108.894 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -98.77 130.96 45.24 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.368 -0.833 . . . . 0.0 110.366 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' C ' ' OG ' ' A' ' 59' ' ' SER . 59.2 tp -69.59 -39.78 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.4 m -135.56 157.17 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.88 66.83 0.1 Allowed 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' VAL . 42.5 m -150.59 -37.53 0.14 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.41 -160.26 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -140.7 -157.74 0.79 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.019 -1.051 . . . . 0.0 109.981 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 50' ' ' VAL . 23.7 m -154.09 123.86 3.27 Favored Pre-proline 0 N--CA 1.498 1.936 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -39.8 128.98 1.98 Allowed 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.825 1.683 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 147.12 2.55 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.688 -0.632 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.33 -21.16 47.67 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -87.07 166.33 15.11 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -1.178 . . . . 0.0 109.795 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -78.79 147.36 33.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.388 -0.82 . . . . 0.0 109.491 -179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -83.75 159.7 21.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.297 -0.877 . . . . 0.0 109.804 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -175.37 162.42 2.89 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.569 HD12 ' CB ' ' A' ' 62' ' ' GLU . 9.5 pt -71.71 -165.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -95.6 140.79 29.93 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.5 tp -46.44 -22.1 0.23 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.421 -0.799 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' NH1' HD12 ' A' ' 64' ' ' ILE . 4.0 mmt-85 -72.29 -32.22 66.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.265 -0.897 . . . . 0.0 108.908 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.569 ' CB ' HD12 ' A' ' 58' ' ' ILE . 70.4 mt-10 -75.78 -38.86 57.88 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.213 -0.929 . . . . 0.0 108.648 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HG2' HD11 ' A' ' 58' ' ' ILE . 55.6 mttt -63.97 -44.26 93.29 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.432 HD12 ' NH1' ' A' ' 61' ' ' ARG . 30.9 mt -57.87 -42.87 83.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.98 60.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.575 -0.703 . . . . 0.0 110.258 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -71.9 -34.64 69.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.071 -1.018 . . . . 0.0 108.988 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -68.28 -35.82 78.44 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -82.14 -26.75 33.22 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.335 -0.853 . . . . 0.0 109.256 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -73.16 -97.85 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 0.0 109.608 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -156.6 80.01 0.95 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 109.385 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.134 -0.979 . . . . 0.0 109.359 -179.738 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.423 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.487 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.821 0 O4'-C1'-N19 110.66 3.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.487 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O4'-C1'-N19 111.727 4.909 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.305 0 O4'-C1'-N19 110.713 3.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.628 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.901 0 O4'-C1'-N19 110.761 3.702 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.628 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.727 4.909 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.52 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.105 1 O4'-C1'-N19 111.234 4.293 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.636 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.546 3.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.636 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.277 4.347 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.643 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.687 0 O4'-C1'-N19 110.892 3.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.643 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.788 4.984 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.49 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.813 0 O4'-C1'-N19 110.589 3.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 0 O4'-C1'-N19 110.374 3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.623 H2'' " O5'" ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.419 3.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.623 " O5'" H2'' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.594 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.682 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.948 1 O4'-C1'-N19 111.804 5.005 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.682 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.448 1 O4'-C1'-N19 112.297 5.621 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.492 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.557 3.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.684 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.82 3.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.684 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.693 0 O4'-C1'-N19 110.806 3.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.46 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 0 O4'-C1'-N19 110.599 3.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.536 ' H73' ' HE1' ' A' ' 38' ' ' PHE . . . . . . . . 0 C5'--C4' 1.533 2.765 1 O4'-C1'-N19 111.553 4.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.606 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.576 0 O4'-C1'-N19 110.758 3.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.606 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.887 1 O4'-C1'-N19 111.741 4.926 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.533 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.495 1 O4'-C1'-N19 111.214 4.267 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.533 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 O4'-C1'-N19 110.765 3.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 13.9 mp0 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.496 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -79.13 -99.48 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' NH2' ' O ' ' A' ' 17' ' ' GLU . 29.4 mtm-85 -157.33 176.79 12.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.371 -0.83 . . . . 0.0 109.336 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -134.67 153.65 51.89 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.41 -0.806 . . . . 0.0 109.145 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 25.7 p-10 -82.78 -162.18 0.56 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.421 -0.799 . . . . 0.0 109.654 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -86.69 -6.36 58.86 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.282 -0.886 . . . . 0.0 109.647 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -107.64 -88.08 0.48 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.377 -0.827 . . . . 0.0 109.709 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.07 10.57 0.08 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 7' ' ' ASP . 28.6 mtm-85 -84.39 -174.58 5.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.015 -1.286 . . . . 0.0 108.789 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 mm -122.26 120.33 60.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.315 -0.866 . . . . 0.0 109.902 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.8 mt -87.19 140.77 29.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 108.703 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' GLY . 27.7 mmtt -88.41 155.32 19.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.316 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.2 m -46.76 92.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.273 -0.892 . . . . 0.0 109.438 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' LYS . . . 159.46 -50.29 0.39 Allowed Glycine 0 N--CA 1.486 1.987 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' O ' ' NH2' ' A' ' 5' ' ' ARG . 11.3 mp0 -89.57 122.74 33.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.338 -1.095 . . . . 0.0 109.888 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -152.6 122.45 6.97 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -60.94 157.37 15.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.122 -0.986 . . . . 0.0 110.003 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.585 ' NH2' ' N7 ' ' B' ' 106' ' ' ' DG' . 7.2 ttt180 -108.24 -137.43 0.37 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.638 0.732 . . . . 0.0 110.348 -178.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 4.2 mtpm? -89.14 -25.53 21.8 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.512 -0.743 . . . . 0.0 110.342 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . 52.0 m-20 -82.29 2.15 33.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.919 -1.113 . . . . 0.0 109.993 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.64 -19.8 5.77 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.628 HH12 ' H72' ' C' ' 119' ' ' ' DT' . 9.0 ptp180 -67.76 157.01 35.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.343 -1.093 . . . . 0.0 109.3 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -74.87 143.8 43.67 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.104 -0.998 . . . . 0.0 108.629 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.14 112.38 11.08 Favored 'General case' 0 N--CA 1.502 2.143 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.51 ' CE2' ' CD1' ' A' ' 29' ' ' TYR . 23.7 t80 -101.4 99.85 10.25 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.626 0.727 . . . . 0.0 109.3 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -97.15 134.35 40.59 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 30.4 p90 -154.25 138.93 16.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.819 -1.176 . . . . 0.0 110.221 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -74.81 127.76 36.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 33' ' ' PHE . 5.0 m-20 -79.51 168.87 18.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 109.548 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.6 m -62.8 5.52 0.12 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.331 -0.856 . . . . 0.0 110.269 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 31' ' ' ASP . 24.9 m-85 -100.24 -30.63 11.79 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.137 -0.977 . . . . 0.0 109.076 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.44 29.75 4.95 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 3.6 pt-20 -130.76 113.9 16.53 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 121.645 -0.915 . . . . 0.0 108.715 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -42.24 154.41 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 121.97 1.78 . . . . 0.0 112.204 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.529 ' OE1' ' N ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -134.5 132.15 38.87 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.478 -0.764 . . . . 0.0 109.615 -179.169 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.529 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 7.5 m-85 -101.81 126.1 48.62 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.324 -0.86 . . . . 0.0 111.531 -179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG23 ' NE2' ' A' ' 37' ' ' GLN . 98.9 t -128.48 118.74 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -102.02 159.46 15.34 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.157 -0.965 . . . . 0.0 110.936 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.56 156.74 1.19 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -106.62 -37.09 6.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.345 -0.847 . . . . 0.0 109.407 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.61 132.48 39.28 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.369 -0.832 . . . . 0.0 109.258 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.2 -33.34 63.39 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 m -137.43 149.89 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.82 65.49 0.09 Allowed 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.505 -0.878 . . . . 0.0 110.136 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' VAL . 4.7 m -151.19 -33.83 0.15 Allowed 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.92 -158.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.456 -0.777 . . . . 0.0 109.093 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 50' ' ' VAL . 29.8 mmt180 -130.6 -163.76 1.35 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.175 -0.953 . . . . 0.0 109.246 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' VAL . 20.2 m -157.51 118.07 2.0 Allowed Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.251 -0.905 . . . . 0.0 109.218 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.28 141.81 3.02 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.926 1.751 . . . . 0.0 112.691 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.36 157.22 3.84 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.594 -0.691 . . . . 0.0 109.665 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.79 -14.97 57.22 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 8.9 mptt -88.23 153.18 21.43 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.205 -1.174 . . . . 0.0 109.388 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -81.18 116.21 20.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.362 -0.836 . . . . 0.0 109.387 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -50.42 151.7 2.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.117 -0.989 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -170.97 160.72 6.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.326 -0.859 . . . . 0.0 108.878 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 pt -73.57 142.96 14.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.221 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 p -47.83 149.47 1.3 Allowed 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.355 -0.841 . . . . 0.0 109.595 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 63' ' ' LYS . 2.9 tt -47.77 -53.35 15.61 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.056 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -45.27 -31.62 1.63 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.485 -0.759 . . . . 0.0 110.187 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.61 -29.46 45.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.698 -1.251 . . . . 0.0 108.125 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' LEU . 71.7 mttt -72.17 -45.75 59.15 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.41 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 7.0 mt -62.05 -39.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.45 -31.53 66.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 110.187 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.93 -34.04 68.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.051 -1.03 . . . . 0.0 109.557 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 71' ' ' ILE . 16.8 mt -65.22 -41.0 94.85 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -84.55 -7.62 59.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.454 -0.779 . . . . 0.0 109.626 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -74.53 -95.64 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.103 -0.998 . . . . 0.0 110.316 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.0 -26.13 25.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.123 -0.986 . . . . 0.0 110.352 -178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 67' ' ' LEU . 13.3 mm . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.945 -1.097 . . . . 0.0 109.415 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.405 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.744 0 O4'-C1'-N19 110.716 3.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.405 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.831 1 O4'-C1'-N19 111.444 4.555 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.373 0 O4'-C1'-N19 110.461 3.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.629 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.794 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.629 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.515 4.644 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.531 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.142 1 O4'-C1'-N19 111.05 4.062 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.567 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.47 3.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.567 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 111.069 4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.455 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.959 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.424 " O5'" H2'' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.406 3.258 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 0 O4'-C1'-N19 110.272 3.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.448 3.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.602 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.595 3.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.676 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.246 1 O4'-C1'-N19 111.762 4.953 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.676 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.047 1 O4'-C1'-N19 112.235 5.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.602 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.394 3.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.628 ' H72' HH12 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.574 0 O4'-C1'-N19 110.83 3.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.543 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.6 0 O4'-C1'-N19 110.649 3.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.511 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.71 0 C3'-C2'-C1' 107.209 3.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.526 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.23 1 O4'-C1'-N19 111.365 4.456 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.626 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.688 0 O4'-C1'-N19 110.531 3.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.626 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.785 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.577 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.577 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.634 3.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.331 0.586 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -86.61 110.55 19.91 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.162 -0.961 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.417 ' H ' ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -79.94 178.24 8.36 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.035 -1.041 . . . . 0.0 109.205 179.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 6' ' ' ARG . 1.9 mtt-85 -135.1 177.28 7.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.373 -0.83 . . . . 0.0 109.48 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.513 ' OD2' ' NE ' ' A' ' 11' ' ' ARG . 22.7 p-10 -83.48 -176.75 6.46 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.192 -0.942 . . . . 0.0 109.189 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -65.36 -6.82 11.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.155 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -103.33 -96.62 0.3 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.493 -0.755 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -164.33 16.85 0.11 Allowed Glycine 0 N--CA 1.492 2.413 0 C-N-CA 119.569 -1.3 . . . . 0.0 109.909 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NE ' ' OD2' ' A' ' 7' ' ' ASP . 71.4 mtm180 -84.01 -165.18 1.07 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.204 -1.174 . . . . 0.0 109.265 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 HD13 HH11 ' A' ' 6' ' ' ARG . 4.1 mm -133.03 122.99 47.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.431 -0.793 . . . . 0.0 109.183 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' H ' HD12 ' A' ' 13' ' ' LEU . 4.9 mp -89.41 154.38 20.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 108.762 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -88.47 161.86 16.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.09 -1.006 . . . . 0.0 108.712 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 16' ' ' GLY . 30.0 m -46.79 162.19 0.05 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.056 -1.028 . . . . 0.0 109.49 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' HG22 ' A' ' 15' ' ' THR . . . 80.28 -38.79 2.25 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' OE2' ' CD1' ' A' ' 27' ' ' TYR . 17.1 mp0 -94.1 145.86 24.38 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.295 -1.121 . . . . 0.0 110.275 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.0 m -179.74 137.95 0.13 Allowed 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -72.68 143.73 47.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.076 -1.015 . . . . 0.0 109.563 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.528 ' NH1' ' H ' ' A' ' 22' ' ' ASP . 4.0 ptm180 -97.83 -151.31 0.37 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.346 -0.846 . . . . 0.0 110.063 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -78.32 -26.35 46.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.157 -0.965 . . . . 0.0 111.163 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.528 ' H ' ' NH1' ' A' ' 20' ' ' ARG . 99.5 m-20 -80.89 2.48 26.43 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.823 -1.173 . . . . 0.0 110.286 -179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.43 -24.64 3.55 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.568 HH12 ' H72' ' C' ' 119' ' ' ' DT' . 10.7 ptp180 -67.23 158.44 31.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.91 -1.347 . . . . 0.0 109.187 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -74.65 151.34 39.32 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.284 -0.885 . . . . 0.0 109.335 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.4 tp -140.18 127.42 21.15 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' CD1' ' OE2' ' A' ' 17' ' ' GLU . 28.5 t80 -121.67 105.23 10.23 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -88.36 139.88 30.04 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 4.1 p90 -151.0 136.49 17.82 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.946 -1.097 . . . . 0.0 109.58 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.7 mm -80.44 125.01 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.718 -0.614 . . . . 0.0 109.504 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -79.93 -178.74 6.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -78.49 11.2 2.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.349 -0.844 . . . . 0.0 109.866 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -100.81 -29.41 12.27 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.42 33.44 3.91 Favored Glycine 0 N--CA 1.495 2.629 0 N-CA-C 109.171 -1.572 . . . . 0.0 109.171 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 3.2 pt-20 -140.88 117.16 7.57 Favored Pre-proline 0 N--CA 1.498 1.966 0 O-C-N 121.453 -1.027 . . . . 0.0 108.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -42.07 157.59 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.845 1.696 . . . . 0.0 112.543 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -135.2 136.85 42.1 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.459 -0.776 . . . . 0.0 109.304 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -100.34 126.7 46.72 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.268 -0.895 . . . . 0.0 111.271 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.49 119.24 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.83 153.12 20.12 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.096 -1.003 . . . . 0.0 111.453 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.6 t -173.3 142.77 1.03 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -96.68 -26.24 15.26 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.988 -1.07 . . . . 0.0 108.889 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 10.1 mtpp -96.6 134.5 39.74 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.527 -0.733 . . . . 0.0 110.212 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD11 ' CZ ' ' A' ' 61' ' ' ARG . 43.9 tp -79.94 -26.19 40.17 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.7 m -145.41 155.91 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -70.1 67.16 0.29 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.362 -0.837 . . . . 0.0 109.722 -179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' VAL . 36.4 m -149.87 -40.46 0.14 Allowed 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.551 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 1.7 m-20 -67.98 -169.57 0.14 Allowed 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.564 ' CG ' HH11 ' A' ' 49' ' ' ARG . 0.0 OUTLIER -138.39 149.77 45.87 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.122 -0.986 . . . . 0.0 109.391 179.399 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 50' ' ' VAL . 19.4 m -85.2 137.7 37.04 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.536 -0.728 . . . . 0.0 109.566 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -43.83 160.0 0.09 OUTLIER 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.074 1.182 . . . . 0.0 111.034 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 54' ' ' LYS . . . -57.43 -77.04 0.03 OUTLIER 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.395 -0.816 . . . . 0.0 111.709 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.83 -2.07 0.05 OUTLIER Glycine 0 N--CA 1.494 2.512 0 O-C-N 121.276 -0.89 . . . . 0.0 111.742 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 52' ' ' ALA . 5.3 mptt -91.71 157.84 16.71 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.531 -1.57 . . . . 0.0 109.989 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -81.92 174.24 11.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 0.0 109.313 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -98.25 145.48 26.6 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.267 -0.896 . . . . 0.0 109.138 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' ILE . . . -166.18 63.4 0.1 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.22 -0.925 . . . . 0.0 110.032 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 62' ' ' GLU . 6.1 pt 24.27 -140.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 CA-C-O 121.123 0.487 . . . . 0.0 111.327 178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.429 ' OG ' ' OE2' ' A' ' 62' ' ' GLU . 1.1 p -124.47 147.45 48.32 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -49.21 -36.54 20.22 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.262 -178.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' CZ ' HD11 ' A' ' 44' ' ' LEU . 10.2 mpt_? -62.4 -27.49 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -0.944 . . . . 0.0 109.469 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -77.27 -41.34 41.32 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.529 -1.357 . . . . 0.0 107.867 178.64 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.501 ' HG2' HD11 ' A' ' 58' ' ' ILE . 41.6 mttm -67.03 -58.13 5.52 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.52 ' CD1' HD22 ' A' ' 60' ' ' LEU . 6.5 mt -44.96 -46.28 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.99 63.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.44 -0.787 . . . . 0.0 110.103 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.049 -1.032 . . . . 0.0 109.351 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.06 -38.65 79.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.45 -0.781 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -82.06 -20.67 37.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 109.583 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 63.0 tttm -72.59 -71.66 0.28 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.316 -0.865 . . . . 0.0 109.631 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 69' ' ' LYS . 62.7 m-20 -154.95 -74.65 0.11 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.251 -0.906 . . . . 0.0 109.385 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.345 -0.847 . . . . 0.0 109.035 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.729 1 O4'-C1'-N19 111.826 5.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.63 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.827 0 O4'-C1'-N19 110.509 3.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.63 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.718 1 O4'-C1'-N19 111.456 4.57 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.571 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.345 0 O4'-C1'-N19 110.819 3.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.625 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.625 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.67 4.837 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.521 " H2'" ' N7 ' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 111.281 4.352 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.615 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.77 0 O4'-C1'-N19 110.619 3.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.615 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.943 1 O4'-C1'-N19 111.22 4.276 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.514 H2'' " O5'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 111.012 4.015 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.514 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.957 1 O4'-C1'-N19 111.162 4.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . 0.434 ' H71' " H2'" ' B' ' 111' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.435 ' H6 ' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.586 0 C3'-C2'-C1' 107.087 3.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.476 3.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.542 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.728 3.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.685 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.228 1 O4'-C1'-N19 112.023 5.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.685 " O5'" H2'' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.157 1 O4'-C1'-N19 112.378 5.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.613 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.613 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.632 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 H2'' " O5'" ' C' ' 121' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.849 0 O4'-C1'-N19 110.636 3.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.514 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.744 3.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.544 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.262 4.327 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.675 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.646 3.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.675 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.623 4.779 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.572 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 1 O4'-C1'-N19 111.367 4.459 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.572 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.642 3.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.24 -167.62 1.94 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.304 -0.872 . . . . 0.0 110.275 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -94.7 169.16 10.36 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.561 0.696 . . . . 0.0 110.307 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.39 150.45 45.31 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 18.1 p-10 -81.89 -172.46 3.92 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.195 -0.941 . . . . 0.0 109.98 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.566 ' CG ' HE22 ' A' ' 19' ' ' GLN . 74.8 m-20 -91.82 4.88 51.84 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.372 -0.83 . . . . 0.0 110.152 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -103.12 -52.28 3.07 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.187 -0.945 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 150.25 -0.9 0.43 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' NH1' HD23 ' A' ' 44' ' ' LEU . 65.5 mtm180 -79.72 -160.4 0.26 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.109 -1.23 . . . . 0.0 108.391 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.7 mm -131.86 120.71 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.226 -0.921 . . . . 0.0 109.842 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 mt -89.11 141.32 28.61 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.195 -0.941 . . . . 0.0 108.555 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -91.01 -167.46 1.82 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.081 -1.012 . . . . 0.0 109.737 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 16' ' ' GLY . 53.4 m -72.09 169.27 16.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.175 -0.953 . . . . 0.0 108.556 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.571 ' N ' HG22 ' A' ' 15' ' ' THR . . . 71.09 -49.3 0.89 Allowed Glycine 0 N--CA 1.489 2.177 0 N-CA-C 108.937 -1.665 . . . . 0.0 108.937 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -90.36 140.68 29.47 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.383 -1.069 . . . . 0.0 109.33 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 98.0 p -156.32 -133.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.178 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.566 HE22 ' CG ' ' A' ' 8' ' ' ASN . 15.0 tt0 -159.75 142.19 13.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -0.919 . . . . 0.0 109.466 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -85.15 -153.49 0.17 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.272 -0.893 . . . . 0.0 110.075 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -95.41 -23.35 17.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.413 -0.804 . . . . 0.0 110.621 -179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.81 1.92 28.51 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.054 -1.029 . . . . 0.0 109.906 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.74 -16.77 58.51 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' CZ ' ' OP2' ' C' ' 119' ' ' ' DT' . 2.6 ptm180 -68.41 154.72 41.26 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.198 -1.177 . . . . 0.0 109.219 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -74.84 154.92 38.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.268 -0.895 . . . . 0.0 109.078 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -138.9 133.93 32.56 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.389 -0.819 . . . . 0.0 108.91 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -129.59 102.89 6.56 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -96.57 137.24 35.94 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 11.9 p90 -152.13 135.23 15.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.897 -1.127 . . . . 0.0 109.526 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.1 mm -79.38 126.16 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.641 -0.662 . . . . 0.0 109.595 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.526 ' OD1' ' CE1' ' A' ' 29' ' ' TYR . 1.4 m-20 -80.18 177.91 8.63 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.214 -0.929 . . . . 0.0 109.489 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.7 t -75.24 11.6 1.15 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.813 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -100.54 -30.38 11.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.0 34.03 3.86 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -140.09 115.46 7.84 Favored Pre-proline 0 N--CA 1.499 2.001 0 O-C-N 121.598 -0.942 . . . . 0.0 108.913 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -42.77 159.84 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.874 1.716 . . . . 0.0 112.389 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.631 ' NE2' ' N ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.36 127.85 28.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.371 -0.83 . . . . 0.0 109.512 -179.315 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.631 ' N ' ' NE2' ' A' ' 37' ' ' GLN . 9.3 m-85 -96.85 128.65 44.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.297 -0.877 . . . . 0.0 111.351 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.414 HG23 ' OE1' ' A' ' 37' ' ' GLN . 77.3 t -127.52 116.88 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -102.41 147.58 26.54 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.209 -0.932 . . . . 0.0 110.987 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.8 148.1 17.27 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -101.91 -38.08 7.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.131 -0.981 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -91.54 125.7 36.37 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.567 -0.708 . . . . 0.0 109.777 -178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD23 ' NH1' ' A' ' 11' ' ' ARG . 58.6 tp -73.54 -25.53 60.43 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.1 m -142.28 152.25 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' N ' ' HB3' ' A' ' 59' ' ' SER . . . -70.47 66.31 0.32 Allowed 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.735 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' VAL . 20.7 m -151.82 -35.56 0.13 Allowed 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -69.34 -166.67 0.1 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.654 -0.654 . . . . 0.0 109.561 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -131.93 -154.94 0.65 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -156.67 133.69 6.52 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.008 -1.057 . . . . 0.0 109.898 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -41.82 132.59 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.061 1.841 . . . . 0.0 112.494 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 147.38 6.77 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.381 -0.825 . . . . 0.0 109.29 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.03 51.72 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 54' ' ' LYS . 11.3 mptt -87.52 155.51 19.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -1.17 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -79.41 140.01 37.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.161 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.6 OUTLIER -69.59 158.0 36.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.16 -0.962 . . . . 0.0 109.384 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -169.07 157.35 7.78 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.204 -0.935 . . . . 0.0 108.931 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 62' ' ' GLU . 5.9 pt -72.02 163.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.407 ' HB3' ' N ' ' A' ' 46' ' ' ALA . 1.3 p -65.27 156.23 32.65 Favored 'General case' 0 C--N 1.29 -1.997 0 O-C-N 121.076 -1.015 . . . . 0.0 109.949 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' HG ' HD12 ' A' ' 64' ' ' ILE . 17.0 tp -52.6 -46.28 66.92 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -56.58 -29.19 61.78 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.181 -0.949 . . . . 0.0 110.015 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HB3' HD12 ' A' ' 58' ' ' ILE . 39.7 mm-40 -74.45 -37.12 63.33 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -66.52 -64.17 0.91 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.455 HD12 ' HG ' ' A' ' 60' ' ' LEU . 6.9 mt -48.86 -39.53 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.344 179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 61' ' ' ARG . . . -53.21 -38.16 62.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.328 -0.858 . . . . 0.0 110.383 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -72.94 -36.1 67.11 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.823 -1.173 . . . . 0.0 108.845 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.98 -27.88 61.2 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.463 -0.773 . . . . 0.0 111.287 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -82.27 -32.57 29.52 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.628 -1.295 . . . . 0.0 110.638 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -74.62 -119.37 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.854 -1.154 . . . . 0.0 109.561 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -161.58 68.21 0.29 Allowed 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.313 -0.867 . . . . 0.0 109.748 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 71' ' ' ILE . 1.6 mp . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.037 -1.039 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.496 1 O4'-C1'-N19 112.526 5.907 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.97 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.437 ' N2 ' ' O2 ' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.813 1 O4'-C1'-N19 111.595 4.744 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.557 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.34 0 O4'-C1'-N19 110.727 3.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.615 H2'' " O5'" ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.942 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.615 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C1'-N19 111.609 4.762 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.483 H2'' " O5'" ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.669 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.578 3.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.669 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.164 1 O4'-C1'-N19 111.199 4.249 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.536 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.076 4.096 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.443 " O5'" H2'' ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.291 1 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 0 O4'-C1'-N19 110.569 3.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.6 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.542 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.583 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C1'-N19 110.88 3.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.583 " O5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.833 5.041 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.517 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.538 4.672 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.4 " H3'" HH22 ' A' ' 24' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.654 0 C3'-C2'-C1' 107.112 3.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.523 H2'' " O5'" ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.523 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.954 0 O4'-C1'-N19 110.567 3.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.504 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.453 0 O4'-C1'-N19 110.575 3.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.536 ' C4 ' ' N6 ' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.653 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.59 0 O4'-C1'-N19 110.824 3.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.653 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 111.363 4.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.552 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.719 1 O4'-C1'-N19 111.393 4.491 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.552 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C1'-N19 110.722 3.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_