data_2k9q_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 2k9q _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 ' 2' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.286 0.565 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.41 -43.06 99.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.424 -0.797 . . . . 0.0 109.834 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -75.71 -33.51 60.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.824 -1.173 . . . . 0.0 109.97 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.4 -45.62 90.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.094 -1.003 . . . . 0.0 110.096 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -69.32 -34.5 74.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.113 -0.992 . . . . 0.0 108.958 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 tp -60.75 -33.48 72.99 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' CB ' ' HZ1' ' A' ' 8' ' ' LYS . 10.3 mtpm? -74.49 -36.53 63.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.46 -46.55 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.328 -0.858 . . . . 0.0 110.509 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -65.19 -42.34 93.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.7 -1.25 . . . . 0.0 109.144 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 15' ' ' SER . 42.8 ttm180 -62.6 -47.17 84.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.886 -1.134 . . . . 0.0 109.148 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.58 -43.34 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.419 -0.801 . . . . 0.0 109.98 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -59.58 -43.64 93.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.387 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.0 -4.16 47.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 108.781 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 11' ' ' ARG . 34.7 t 45.14 78.68 0.06 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.376 -0.828 . . . . 0.0 110.048 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.1 mt -112.33 133.22 54.55 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.427 -0.796 . . . . 0.0 109.3 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -85.61 159.44 19.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.191 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.22 -38.59 75.28 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.61 -48.18 73.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.51 -0.744 . . . . 0.0 109.877 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.7 t -63.28 -44.91 93.76 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.099 -1.0 . . . . 0.0 109.365 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.23 -43.75 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.444 -0.785 . . . . 0.0 110.161 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.8 99.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.074 -1.016 . . . . 0.0 110.35 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.91 -43.2 79.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.799 -1.188 . . . . 0.0 109.466 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.1 -43.51 78.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.183 -0.948 . . . . 0.0 109.381 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 86.1 mmm -66.08 -39.31 89.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -0.793 . . . . 0.0 109.548 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.1 26.97 14.53 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.3 164.9 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.688 -0.889 . . . . 0.0 109.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -73.72 155.31 39.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -63.89 -34.95 79.09 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.26 -41.02 87.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 109.145 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.07 -38.76 92.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.303 -0.873 . . . . 0.0 108.923 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.86 -42.0 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.41 -0.807 . . . . 0.0 109.008 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.9 m -62.13 -33.81 75.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.51 -38.82 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.81 -43.25 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 108.996 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.84 -35.3 80.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.511 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -89.48 6.82 39.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.244 -0.91 . . . . 0.0 109.657 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -65.03 159.42 23.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 109.286 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 1.7 pm0 -108.51 118.94 38.08 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.657 0.741 . . . . 0.0 109.575 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 39' ' ' GLU . 20.5 p 46.2 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.528 0.68 . . . . 0.0 110.29 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.37 146.3 37.51 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.339 -0.85 . . . . 0.0 109.092 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.51 159.43 42.97 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.392 2.061 . . . . 0.0 111.956 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 m -62.87 -28.26 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.342 -0.849 . . . . 0.0 109.742 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.73 -46.93 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.187 -0.946 . . . . 0.0 109.271 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.72 -43.02 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 0.0 109.519 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.37 -41.11 96.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.85 . . . . 0.0 109.313 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.22 -44.3 97.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.44 -42.74 96.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.352 -0.842 . . . . 0.0 109.319 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -33.64 67.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.976 . . . . 0.0 108.715 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -61.86 -43.89 97.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.377 -0.827 . . . . 0.0 109.302 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 2.4 mm? -61.33 -40.26 93.58 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.13 -0.981 . . . . 0.0 108.906 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.507 HH22 HH22 ' B' ' 52' ' ' ARG . 15.9 ttm180 -62.81 -38.76 91.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.01 -1.056 . . . . 0.0 108.652 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -58.39 -19.09 32.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.201 -0.937 . . . . 0.0 109.043 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -91.71 5.26 50.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.336 -0.852 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.82 18.18 70.84 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.76 134.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.963 -1.316 . . . . 0.0 109.741 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.91 70.94 0.51 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.283 -0.885 . . . . 0.0 109.43 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.49 -41.99 98.54 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.463 -0.773 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -59.67 -42.82 93.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.74 76.48 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.131 -0.98 . . . . 0.0 109.064 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.1 -48.95 79.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.854 . . . . 0.0 109.892 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.68 -35.04 74.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.993 -1.067 . . . . 0.0 109.835 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.95 -35.1 74.24 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.98 -40.65 91.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.642 -0.661 . . . . 0.0 110.158 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.312 -0.868 . . . . 0.0 110.633 -178.411 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 N--CA 1.499 2.017 0 CA-C-O 121.731 0.776 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.59 -41.96 99.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.6 m -59.5 -41.07 89.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.67 -41.22 98.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.63 -35.45 78.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.203 -0.935 . . . . 0.0 109.807 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.0 -44.38 97.49 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -66.21 -39.39 89.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.196 -0.94 . . . . 0.0 110.006 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.585 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.1 -39.21 93.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.098 -1.001 . . . . 0.0 109.19 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.418 HH22 ' CB ' ' B' ' 36' ' ' GLU . 32.8 ttm180 -61.64 -45.3 94.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.0 108.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.27 -43.7 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.294 0.569 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -61.8 -41.39 97.69 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' B' ' 15' ' ' SER . 94.3 mt -85.95 -8.26 58.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.1 p 40.3 48.05 2.27 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.432 0.634 . . . . 0.0 109.488 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.64 159.81 26.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.371 -0.83 . . . . 0.0 110.174 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -105.51 134.41 48.66 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.754 0.787 . . . . 0.0 109.935 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -23.2 66.85 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 0.0 109.395 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.92 -46.16 91.77 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.487 -0.758 . . . . 0.0 109.273 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -72.55 -41.37 65.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.392 -0.817 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.58 -46.55 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 0.0 110.66 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.12 89.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.929 -1.107 . . . . 0.0 110.191 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.13 -44.9 82.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.876 -1.14 . . . . 0.0 109.154 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.17 -40.8 64.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.341 -0.85 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.55 -39.92 92.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.173 -0.954 . . . . 0.0 109.453 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.9 29.09 16.43 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.67 166.78 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.433 -1.04 . . . . 0.0 109.758 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -69.17 149.26 48.81 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 108.89 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.46 -36.04 82.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 109.051 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -58.96 -42.18 89.24 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.11 -34.02 77.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 109.339 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.73 -43.16 94.3 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.56 -37.53 86.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -68.55 -29.82 68.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.284 -0.885 . . . . 0.0 110.492 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.7 -44.79 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.796 -1.19 . . . . 0.0 109.346 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.418 ' CB ' HH22 ' B' ' 11' ' ' ARG . 8.8 pt-20 -69.84 -35.55 74.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.979 -1.076 . . . . 0.0 109.167 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.55 ' C ' ' H ' ' B' ' 39' ' ' GLU . 75.2 mt-30 -90.49 13.53 15.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.178 -0.951 . . . . 0.0 109.381 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.513 ' O ' ' N ' ' B' ' 40' ' ' THR . 88.7 p -68.5 34.69 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.157 -0.965 . . . . 0.0 110.115 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' B' ' 37' ' ' GLN . 53.0 mt-10 53.16 -86.53 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.241 -0.912 . . . . 0.0 110.412 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' SER . 9.3 t -131.9 168.08 18.49 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.397 -0.815 . . . . 0.0 109.767 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.99 155.91 77.26 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.384 -0.822 . . . . 0.0 109.085 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.93 160.72 46.97 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.631 2.221 . . . . 0.0 112.11 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.5 -18.4 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.403 -0.81 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.49 -44.6 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.268 -0.895 . . . . 0.0 108.93 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.61 -44.58 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.33 -0.856 . . . . 0.0 108.901 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.23 -40.32 97.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.84 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.42 -41.18 88.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.876 . . . . 0.0 109.039 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.34 -43.15 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.366 -0.834 . . . . 0.0 109.035 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.54 74.73 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.218 -0.926 . . . . 0.0 109.162 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.623 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 17.6 t80 -61.11 -49.81 75.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' B' ' 51' ' ' LEU . 3.3 mm? -66.49 -39.82 88.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 109.081 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.507 HH22 HH22 ' A' ' 52' ' ' ARG . 40.0 ttt180 -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.344 -0.848 . . . . 0.0 108.989 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -57.21 -20.2 25.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.482 -0.761 . . . . 0.0 109.65 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.623 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 59.2 mttp -90.34 8.45 33.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 109.236 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.85 19.67 65.02 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 58' ' ' LEU . 79.3 t -69.4 134.45 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.051 -1.264 . . . . 0.0 109.681 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 70.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.581 -0.699 . . . . 0.0 110.428 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' B' ' 56' ' ' VAL . 49.9 tp -63.62 -42.6 98.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.081 -1.012 . . . . 0.0 109.78 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.719 ' H ' HD21 ' B' ' 59' ' ' ASN . 0.4 OUTLIER -59.56 -41.99 91.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.156 -0.965 . . . . 0.0 109.792 -179.077 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.017 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -46.97 86.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.425 -0.797 . . . . 0.0 109.545 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.35 -33.64 71.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.146 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.08 -41.13 91.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.147 -0.971 . . . . 0.0 109.761 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -64.64 -37.35 87.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.404 -0.81 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.58 0 O-C-N 120.848 -1.158 . . . . 0.0 109.976 -178.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 5' ' ' ASN . 3.9 pt-20 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.437 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 9.0 tp -41.54 -36.8 0.97 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.531 -0.73 . . . . 0.0 109.722 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.7 m -79.35 -32.68 43.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.965 -1.085 . . . . 0.0 109.884 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 2' ' ' GLU . 12.1 t-20 -63.62 -47.15 82.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.131 -0.98 . . . . 0.0 109.998 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -44.92 77.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.278 -0.888 . . . . 0.0 108.855 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.68 -45.58 86.03 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.923 . . . . 0.0 110.192 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.55 -36.41 83.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 109.923 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.501 ' CG1' ' NH2' ' A' ' 13' ' ' ARG . 23.3 t -61.63 -43.07 96.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.34 -0.85 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.23 -36.53 82.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.772 -1.205 . . . . 0.0 109.15 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.64 -42.43 99.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.082 -1.011 . . . . 0.0 109.625 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.83 -51.77 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.164 -0.96 . . . . 0.0 109.898 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.501 ' NH2' ' CG1' ' A' ' 9' ' ' VAL . 25.3 mtm-85 -67.36 -38.49 84.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.373 -0.829 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.29 -2.34 52.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.213 -0.93 . . . . 0.0 108.611 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t 53.6 73.5 0.37 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.543 -0.723 . . . . 0.0 110.064 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 mp -114.63 143.39 45.09 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.63 -0.669 . . . . 0.0 109.693 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.689 ' HG1' ' H ' ' A' ' 20' ' ' SER . 71.8 p -119.28 153.06 35.64 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.39 93.67 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.51 -0.744 . . . . 0.0 109.425 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -66.3 -47.11 74.66 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.389 -0.819 . . . . 0.0 110.289 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.689 ' H ' ' HG1' ' A' ' 17' ' ' THR . 38.4 t -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.242 -0.911 . . . . 0.0 110.195 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.52 -44.79 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.279 -0.888 . . . . 0.0 109.734 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.29 74.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 0.0 110.178 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.82 -35.16 76.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.308 -0.87 . . . . 0.0 109.598 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.9 -51.82 17.09 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.239 -0.913 . . . . 0.0 109.817 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mtp -65.94 -39.6 90.63 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.279 -0.888 . . . . 0.0 109.607 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.89 33.49 5.24 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -125.94 161.23 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.388 -1.066 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -75.16 158.8 32.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.388 -0.82 . . . . 0.0 110.286 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -63.63 -37.07 85.95 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.47 -0.769 . . . . 0.0 109.332 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.27 -41.19 79.24 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.142 -0.974 . . . . 0.0 109.286 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.38 -38.98 91.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.865 . . . . 0.0 109.237 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.08 -42.65 99.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.477 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.0 -36.45 84.03 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.45 -0.781 . . . . 0.0 109.704 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.29 -35.68 81.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.298 -0.876 . . . . 0.0 109.233 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.76 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.199 -0.938 . . . . 0.0 109.118 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -62.99 -35.33 79.84 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.078 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.15 39.11 1.25 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.894 . . . . 0.0 108.892 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' THR . 77.9 p -70.01 -13.02 62.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 108.988 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 54.16 -85.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.376 -0.827 . . . . 0.0 110.291 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' SER . 10.3 t -96.27 158.52 15.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.069 -1.02 . . . . 0.0 109.85 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 127.44 34.75 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.303 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -47.89 145.68 9.76 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.101 1.868 . . . . 0.0 113.542 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.95 -30.22 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 109.243 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.32 -32.67 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.238 -0.914 . . . . 0.0 109.66 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -62.26 -47.43 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.133 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.94 -35.58 81.6 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.343 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.15 -41.77 72.23 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.193 -1.039 . . . . 0.0 108.193 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.43 -43.73 98.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.531 -0.73 . . . . 0.0 109.034 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.31 80.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 0.0 109.467 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 78.2 t80 -60.03 -44.34 94.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.425 -0.797 . . . . 0.0 109.612 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.25 -41.26 98.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.393 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -62.29 -32.24 72.93 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.236 -0.915 . . . . 0.0 109.151 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -57.84 -21.77 44.32 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.131 -0.981 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.615 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 14.8 mptt -97.14 2.41 51.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.898 . . . . 0.0 108.629 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.75 49.48 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.44 136.9 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.344 . . . . 0.0 109.742 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.7 88.34 2.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.654 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.2 tp -80.03 -27.66 39.45 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.484 -0.76 . . . . 0.0 109.561 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.684 HD22 HH22 ' B' ' 52' ' ' ARG . 8.2 m-80 -61.79 -41.87 98.28 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.395 -0.816 . . . . 0.0 109.908 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.8 94.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.984 -1.073 . . . . 0.0 109.074 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.07 -46.26 81.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.287 -0.883 . . . . 0.0 109.782 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.8 -37.59 79.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.6 -0.688 . . . . 0.0 109.569 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 70.5 m-20 -59.94 -45.99 90.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.212 -0.93 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -67.06 -44.18 80.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.175 -0.953 . . . . 0.0 109.583 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.304 -1.385 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.169 0.509 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -45.49 -43.26 11.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.541 -0.724 . . . . 0.0 109.838 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -62.91 -37.1 85.61 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 110.058 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.75 -39.43 94.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 110.043 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.69 -43.87 71.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.535 0.683 . . . . 0.0 109.266 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.91 -41.0 99.29 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.905 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.541 ' CB ' ' HZ3' ' B' ' 8' ' ' LYS . 0.2 OUTLIER -61.79 -40.14 94.18 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.458 -0.776 . . . . 0.0 109.985 -179.279 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.96 -44.18 97.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.141 -0.974 . . . . 0.0 109.212 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.87 -50.35 70.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.46 ' NH1' ' CD ' ' B' ' 36' ' ' GLU . 10.6 ttt180 -65.76 -43.03 90.13 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.425 -0.797 . . . . 0.0 110.219 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.43 -42.9 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.299 -0.876 . . . . 0.0 109.68 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -44.62 85.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.424 -0.798 . . . . 0.0 109.127 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.23 -5.88 59.3 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t 47.65 70.58 0.41 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -110.52 135.3 51.4 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.423 -0.798 . . . . 0.0 109.65 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.451 ' HG1' ' CB ' ' B' ' 20' ' ' SER . 9.9 p -76.63 150.16 36.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.316 -0.865 . . . . 0.0 110.254 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.69 86.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.503 -0.748 . . . . 0.0 109.926 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -64.2 -43.5 94.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.042 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.451 ' CB ' ' HG1' ' B' ' 17' ' ' THR . 77.8 p -59.53 -45.1 92.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.2 -0.937 . . . . 0.0 109.78 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.65 -43.31 86.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.711 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.84 88.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.453 -0.779 . . . . 0.0 110.63 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -66.05 -37.5 85.98 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.88 -44.82 65.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 76.8 mmm -65.09 -38.95 92.38 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.341 -0.849 . . . . 0.0 109.612 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.98 16.53 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.67 163.39 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.446 -1.032 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 97.3 p -76.13 165.64 24.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.517 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -63.09 -35.68 81.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -57.16 -44.37 83.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.414 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.13 -44.72 83.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.375 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -64.24 -42.48 96.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.442 -0.786 . . . . 0.0 109.626 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.9 m -63.44 -36.05 82.46 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.55 -0.719 . . . . 0.0 109.588 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -62.39 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.59 -43.9 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' B' ' 11' ' ' ARG . 81.2 mt-10 -68.94 -12.81 61.99 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -108.47 -7.87 15.69 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -58.65 144.5 43.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.235 -0.916 . . . . 0.0 110.357 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -118.76 -40.75 2.84 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 53.7 m -111.65 126.82 55.43 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.564 -0.71 . . . . 0.0 109.705 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.83 151.81 39.27 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.502 -0.748 . . . . 0.0 109.401 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.4 153.65 77.26 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.368 2.045 . . . . 0.0 112.875 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 46' ' ' LYS . 14.5 p -63.72 -31.59 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.458 -0.776 . . . . 0.0 109.994 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' B' ' 45' ' ' VAL . 7.1 m -41.05 -38.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.644 -0.66 . . . . 0.0 109.866 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' B' ' 44' ' ' VAL . 75.6 t -64.42 -45.02 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.213 -0.929 . . . . 0.0 109.172 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' B' ' 43' ' ' VAL . 99.5 mttt -63.99 -39.43 94.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.301 -0.874 . . . . 0.0 109.403 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -60.12 -41.54 92.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.451 -0.78 . . . . 0.0 109.347 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.86 -42.94 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.34 69.21 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.59 -51.9 66.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.35 -38.41 84.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.354 -0.841 . . . . 0.0 108.866 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.684 HH22 HD22 ' A' ' 59' ' ' ASN . 31.2 ttt180 -59.68 -37.14 77.99 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.414 -0.804 . . . . 0.0 109.135 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -54.91 -35.81 64.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.432 -0.792 . . . . 0.0 109.378 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -84.38 11.83 7.81 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 109.322 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.28 29.17 70.47 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.16 132.65 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.722 -1.458 . . . . 0.0 109.561 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.5 73.16 5.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.262 -0.899 . . . . 0.0 109.171 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -88.07 -9.01 54.67 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -64.95 -42.73 94.36 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.65 90.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.622 -0.674 . . . . 0.0 109.981 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.43 -42.91 99.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.317 -0.864 . . . . 0.0 109.339 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.281 -0.887 . . . . 0.0 109.431 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.25 -34.25 72.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.06 -1.025 . . . . 0.0 108.854 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -61.84 -42.39 98.98 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mm . . . . . 0 C--N 1.305 -1.347 0 O-C-N 121.618 -0.677 . . . . 0.0 109.762 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.347 0.594 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.07 -44.34 96.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -61.75 -43.57 98.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.882 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.98 -48.65 77.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.0 110.279 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 1.6 tt0 -71.11 -38.12 72.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 110.08 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.29 -43.39 92.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.204 -0.935 . . . . 0.0 108.798 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.86 -40.5 95.57 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.43 -0.794 . . . . 0.0 108.952 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.07 -46.76 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.0 109.882 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 3.3 mp0 -55.33 -42.73 74.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.226 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -59.46 -46.1 89.74 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.234 -0.916 . . . . 0.0 109.183 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -75.59 -26.71 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.629 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -62.99 -42.35 99.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' OG ' ' A' ' 15' ' ' SER . 84.2 mt -86.84 -1.6 57.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 15' ' ' SER . 6.1 p 65.65 67.73 0.49 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.39 -0.819 . . . . 0.0 110.142 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -116.45 134.52 54.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.402 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 17.0 p -84.35 156.17 22.0 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.53 65.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.712 -0.618 . . . . 0.0 109.823 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -64.2 -44.27 92.48 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.444 -0.785 . . . . 0.0 110.002 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.478 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 77.8 p -61.85 -46.49 89.24 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 109.638 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.4 t -68.54 -45.14 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.373 -0.83 . . . . 0.0 110.205 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.09 99.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.847 . . . . 0.0 110.533 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -46.44 69.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 110.048 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -68.42 -37.45 80.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.282 -0.886 . . . . 0.0 109.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 70.4 mmm -62.99 -36.72 84.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.95 20.45 16.35 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.41 161.49 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.725 -0.868 . . . . 0.0 109.681 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -69.68 154.81 41.45 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.747 0.784 . . . . 0.0 110.455 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -61.83 -35.82 79.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.346 -0.846 . . . . 0.0 109.3 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.94 -42.14 97.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.302 -0.874 . . . . 0.0 109.096 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.27 -40.32 97.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.263 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -59.73 -36.8 77.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.373 -0.83 . . . . 0.0 109.492 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -61.41 -40.4 94.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.267 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -63.15 -42.92 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.19 -40.5 64.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.41 -0.806 . . . . 0.0 108.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -103.21 38.6 1.73 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.559 -0.713 . . . . 0.0 109.142 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 p -63.36 158.85 19.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.319 -0.863 . . . . 0.0 110.127 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.462 ' OE1' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -108.44 124.17 49.99 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.649 0.738 . . . . 0.0 109.455 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 39' ' ' GLU . 34.0 p 49.0 176.15 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.538 0.685 . . . . 0.0 110.722 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.98 131.28 23.53 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.465 -0.772 . . . . 0.0 109.262 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.19 144.27 13.03 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.006 1.804 . . . . 0.0 113.571 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.25 -30.44 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.636 -0.665 . . . . 0.0 109.526 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.25 -33.29 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.207 -0.933 . . . . 0.0 109.384 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.38 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.893 . . . . 0.0 109.253 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.82 -37.04 82.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 108.984 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.59 -40.03 78.11 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.67 -43.2 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.242 -0.911 . . . . 0.0 108.729 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.1 72.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.469 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.61 -47.77 83.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.297 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 2.6 mm? -64.04 -41.15 97.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.813 . . . . 0.0 109.26 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HE ' HD21 ' A' ' 58' ' ' LEU . 34.5 ttm180 -61.72 -41.35 97.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.293 -0.88 . . . . 0.0 108.939 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 t -56.24 -19.75 15.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.13 4.72 53.34 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.151 -0.968 . . . . 0.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 22.54 59.34 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.68 132.81 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.462 -1.022 . . . . 0.0 109.436 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -78.32 76.14 4.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.598 -0.689 . . . . 0.0 110.094 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.402 HD21 ' HE ' ' A' ' 52' ' ' ARG . 2.3 pp -90.54 -18.63 24.92 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 8.8 p-10 -61.24 -42.66 99.0 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.14 77.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.486 -0.759 . . . . 0.0 109.304 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.456 -0.778 . . . . 0.0 109.315 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -70.48 -34.47 72.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.271 -0.893 . . . . 0.0 109.718 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -59.81 -35.03 73.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.403 -0.811 . . . . 0.0 110.03 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -70.0 -38.21 75.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.971 -1.081 . . . . 0.0 109.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.337 -0.852 . . . . 0.0 110.898 -179.046 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.457 0.646 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.01 -43.97 97.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 0.0 109.362 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t -59.41 -34.09 72.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.578 -0.701 . . . . 0.0 109.636 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -60.24 -36.75 78.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.384 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -77.6 -31.2 52.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.769 -1.207 . . . . 0.0 110.313 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.61 -45.16 95.05 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.018 -1.051 . . . . 0.0 109.99 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -72.96 -38.49 66.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.79 -51.2 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.349 -0.845 . . . . 0.0 109.997 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.689 -1.257 . . . . 0.0 109.04 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -62.14 -50.0 73.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.373 -0.83 . . . . 0.0 109.083 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.06 -43.68 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.836 -0.54 . . . . 0.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -61.77 -40.55 95.59 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.11 -0.994 . . . . 0.0 109.579 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.3 mt -85.84 -4.93 59.29 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.6 m 38.48 47.19 1.05 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.292 0.568 . . . . 0.0 110.136 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' B' ' 11' ' ' ARG . 2.4 pp -85.0 162.85 19.21 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 109.606 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -90.69 123.96 34.71 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.298 -0.876 . . . . 0.0 110.292 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.71 78.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.616 -0.678 . . . . 0.0 109.68 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.635 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 23.7 mtpp -60.04 -44.73 94.45 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.6 m -62.16 -41.2 98.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.376 -0.827 . . . . 0.0 109.655 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.406 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 77.5 t -60.98 -48.54 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.889 . . . . 0.0 110.015 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.17 72.06 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.296 -0.878 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -69.74 -55.09 10.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 110.575 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.02 -38.02 78.99 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.135 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.406 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 74.2 mtp -63.58 -38.88 92.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.968 -1.083 . . . . 0.0 109.476 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.97 25.84 13.82 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -123.73 161.0 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.546 -0.973 . . . . 0.0 109.544 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 p -75.08 160.0 31.02 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.814 0.816 . . . . 0.0 110.374 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.635 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 6.6 mtm180 -64.49 -34.14 77.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -52.85 -46.44 67.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -0.869 . . . . 0.0 109.138 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.49 -40.91 76.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.61 -45.34 93.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.12 -34.58 77.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.374 -0.829 . . . . 0.0 109.331 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.83 -39.98 91.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.442 -0.786 . . . . 0.0 108.899 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.0 -42.86 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.442 -0.786 . . . . 0.0 109.387 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -58.09 -43.66 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.919 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 16.0 pt20 -96.32 34.92 1.53 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.194 -0.941 . . . . 0.0 109.141 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -70.39 134.0 47.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 110.015 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.15 -70.99 0.66 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.549 -0.719 . . . . 0.0 109.402 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 5.2 t -104.97 131.34 52.61 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.523 -0.736 . . . . 0.0 109.271 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.82 150.25 47.63 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.454 -0.779 . . . . 0.0 109.611 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.64 155.49 69.9 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.668 2.245 . . . . 0.0 112.927 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.48 -30.08 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.619 -0.675 . . . . 0.0 110.333 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 12.0 p -47.42 -35.13 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 109.319 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.72 -47.03 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 108.806 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -64.2 -36.79 85.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.022 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -57.82 -41.78 82.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -42.91 97.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.36 77.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.523 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 16.9 t80 -59.78 -48.14 82.87 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.66 -38.06 86.06 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -54.89 -42.35 72.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.396 -0.815 . . . . 0.0 108.996 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 93.3 p -58.12 -30.48 66.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.511 -0.743 . . . . 0.0 109.538 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.523 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 58.7 mttp -85.02 -3.72 58.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.223 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.91 29.66 58.75 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 120.005 -1.093 . . . . 0.0 110.936 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.66 140.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.929 -1.336 . . . . 0.0 109.222 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.61 54.13 0.06 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.707 -0.621 . . . . 0.0 111.952 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.69 -39.08 90.91 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.967 -1.083 . . . . 0.0 109.314 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -52.93 -44.91 67.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.38 79.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.713 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.224 -0.922 . . . . 0.0 109.549 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' B' ' 65' ' ' ILE . 18.1 m-85 -68.36 -45.09 73.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.665 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -53.92 -30.73 47.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 109.628 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.07 -20.74 55.41 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' B' ' 62' ' ' PHE . 96.7 mt . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.643 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.24 0.543 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.2 -44.0 96.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t -66.32 -28.25 68.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.296 -0.877 . . . . 0.0 110.493 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.423 ' ND2' ' C ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -62.88 -48.07 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 0.0 110.215 -179.097 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.43 -31.34 71.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.59 -37.81 85.25 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -71.41 -34.26 70.17 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.055 -1.028 . . . . 0.0 110.008 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.01 -49.07 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.235 -0.916 . . . . 0.0 110.517 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.53 -38.97 85.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.243 -0.911 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 23.6 tpt85 -58.86 -48.02 82.85 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 HD12 HG22 ' A' ' 12' ' ' ILE . 93.9 mt -66.83 -41.97 88.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.649 -0.657 . . . . 0.0 109.474 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -52.5 -44.89 65.95 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.416 -0.802 . . . . 0.0 109.836 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.4 -1.88 58.23 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 108.609 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.4 p 43.02 51.41 5.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.67 -0.643 . . . . 0.0 109.39 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 64.5 mt -80.83 174.1 11.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.47 -0.769 . . . . 0.0 110.216 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -109.17 123.21 48.85 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.617 0.723 . . . . 0.0 109.799 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.7 86.97 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.537 -0.727 . . . . 0.0 109.179 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.97 -42.8 99.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.556 -0.715 . . . . 0.0 109.557 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 t -60.83 -43.88 97.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.321 -0.862 . . . . 0.0 109.686 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.26 -43.4 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 0.0 109.351 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.3 73.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -65.32 -42.89 92.49 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.122 -0.987 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.77 -44.3 61.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 109.423 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 72.3 mmm -64.7 -38.93 92.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.739 -0.6 . . . . 0.0 109.551 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.76 19.7 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -123.69 165.74 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 121.525 -0.985 . . . . 0.0 109.968 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.0 m -67.24 150.94 48.39 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.528 -0.732 . . . . 0.0 110.386 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -61.4 -41.01 96.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.67 -39.68 81.35 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.301 -0.874 . . . . 0.0 109.236 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.79 -45.95 88.7 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.336 -0.853 . . . . 0.0 108.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.86 -41.54 97.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.316 -0.865 . . . . 0.0 109.161 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.01 -33.06 73.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.578 -0.701 . . . . 0.0 109.367 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 38' ' ' SER . 27.9 t-20 -62.23 -38.15 88.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.407 -0.808 . . . . 0.0 109.048 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -43.93 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.432 -0.793 . . . . 0.0 109.052 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.09 -31.74 73.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.374 -0.828 . . . . 0.0 109.402 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -100.12 1.46 42.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.855 . . . . 0.0 109.196 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' ASN . 26.4 t -67.11 150.69 48.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.775 . . . . 0.0 110.472 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' H ' ' A' ' 40' ' ' THR . 36.8 tt0 -60.34 -127.62 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.414 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.424 ' H ' ' CG ' ' A' ' 39' ' ' GLU . 16.6 p -83.01 169.59 15.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.474 -0.766 . . . . 0.0 110.37 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.1 152.02 95.88 Favored Pre-proline 0 C--N 1.302 -1.462 0 O-C-N 121.408 -0.808 . . . . 0.0 109.721 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.43 156.68 65.16 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.809 2.339 . . . . 0.0 112.655 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.53 -33.48 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.434 -0.791 . . . . 0.0 110.085 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -49.03 -36.69 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.234 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.45 -44.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.0 108.938 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.57 -36.55 84.16 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.323 -0.86 . . . . 0.0 109.034 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' OH ' ' NE ' ' B' ' 11' ' ' ARG . 8.7 t80 -58.22 -42.51 86.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.54 -43.11 98.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.41 74.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.273 -0.892 . . . . 0.0 109.357 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -61.06 -50.18 74.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.161 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -67.39 -41.44 84.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.324 -0.86 . . . . 0.0 109.72 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -64.5 -42.38 95.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.2 m -58.6 -20.4 46.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.455 -0.778 . . . . 0.0 109.685 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -89.52 10.68 21.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.114 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.486 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 79.66 19.26 71.29 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 51' ' ' LEU . 82.6 t -69.63 -43.3 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.077 -1.249 . . . . 0.0 109.593 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 55' ' ' GLY . 2.0 m-20 60.75 97.71 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 121.572 0.701 . . . . 0.0 109.948 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.432 HD11 ' H ' ' A' ' 58' ' ' LEU . 2.2 mp -90.92 -2.22 57.75 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -55.52 -39.61 70.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.29 67.96 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.616 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.95 -42.94 99.69 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 110.137 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.83 -36.23 83.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.47 -0.769 . . . . 0.0 109.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.71 -31.55 71.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -58.83 -49.7 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.177 -0.952 . . . . 0.0 109.386 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.603 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 5' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.194 0.521 . . . . 0.0 110.477 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' B' ' 2' ' ' GLU . 20.1 mt -40.8 -40.41 1.34 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.991 -1.068 . . . . 0.0 109.595 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.9 m -61.61 -38.49 87.82 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.308 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 2' ' ' GLU . 13.1 t30 -60.09 -46.56 89.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.159 -0.963 . . . . 0.0 110.144 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' B' ' 10' ' ' GLU . 96.5 mt-10 -53.71 -54.01 44.01 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.09 -1.006 . . . . 0.0 109.642 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' B' ' 7' ' ' LEU . 9.8 mp -62.46 -38.74 90.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.403 -0.811 . . . . 0.0 109.841 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.605 ' HZ3' ' CG1' ' B' ' 12' ' ' ILE . 3.5 tmtt? -63.92 -39.89 95.22 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.121 -0.987 . . . . 0.0 109.174 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' B' ' 10' ' ' GLU . 41.4 t -56.49 -67.47 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.099 -1.001 . . . . 0.0 109.312 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -40.5 -44.37 2.04 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.79 -0.569 . . . . 0.0 109.974 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' SER . 7.1 tpp85 -54.8 -44.95 74.25 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.188 -0.945 . . . . 0.0 108.664 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.605 ' CG1' ' HZ3' ' B' ' 8' ' ' LYS . 97.0 mt -65.72 -43.33 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.653 -0.654 . . . . 0.0 109.568 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -59.24 -46.06 89.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.346 -0.846 . . . . 0.0 110.449 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.2 mt -95.81 -0.54 51.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.094 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' ARG . 34.8 t 38.41 60.29 1.33 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 109.826 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 mt -85.46 156.88 20.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.55 -0.719 . . . . 0.0 109.89 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -101.37 135.16 43.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.433 -0.792 . . . . 0.0 110.147 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.02 78.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.554 -0.716 . . . . 0.0 109.553 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.442 ' HZ1' ' NH1' ' B' ' 29' ' ' ARG . 64.4 mttp -62.13 -42.81 99.61 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.386 -0.821 . . . . 0.0 109.882 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' ' OE1' ' B' ' 24' ' ' GLU . 11.7 t -61.73 -46.13 90.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.196 -0.94 . . . . 0.0 109.987 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.74 -45.83 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.195 -0.94 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.05 70.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.393 -0.817 . . . . 0.0 109.285 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -69.24 -34.94 75.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.318 -0.864 . . . . 0.0 109.49 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' B' ' 20' ' ' SER . 4.9 mp0 -68.31 -67.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.336 -0.853 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.1 mtm -65.44 -39.5 92.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.991 . . . . 0.0 109.66 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 48.75 3.11 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -120.8 161.56 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.509 -0.994 . . . . 0.0 109.687 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -67.14 150.17 49.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.676 0.751 . . . . 0.0 110.376 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.442 ' NH1' ' HZ1' ' B' ' 19' ' ' LYS . 76.1 mtp180 -62.4 -34.7 77.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.245 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.01 -43.02 77.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.5 -48.92 73.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.283 -0.886 . . . . 0.0 109.618 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.72 -43.48 96.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.0 109.924 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.2 -33.23 74.16 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.382 -0.824 . . . . 0.0 109.524 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' B' ' 38' ' ' SER . 41.0 t-20 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.405 HG22 HD12 ' B' ' 35' ' ' ILE . 95.8 mt -62.35 -42.93 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 0.0 109.179 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.05 -34.76 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -113.45 17.12 18.64 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.4 -0.813 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 34' ' ' ASN . 3.6 m -67.14 148.02 52.36 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.221 -0.925 . . . . 0.0 109.844 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 40' ' ' THR . 29.6 mp0 -89.8 108.02 19.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.507 -0.746 . . . . 0.0 109.574 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' B' ' 41' ' ' ALA . 64.0 m 55.38 163.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.502 0.668 . . . . 0.0 110.61 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.452 ' N ' ' CG2' ' B' ' 40' ' ' THR . . . -85.94 153.33 57.39 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.553 -0.717 . . . . 0.0 109.774 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.3 161.31 46.39 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.905 2.404 . . . . 0.0 112.991 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m -57.74 -18.25 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.493 -0.754 . . . . 0.0 109.684 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.07 -44.88 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.131 -0.98 . . . . 0.0 109.254 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.41 -46.81 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.296 -0.877 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.65 -38.06 89.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.483 -0.76 . . . . 0.0 109.395 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -57.65 -41.04 80.67 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.99 -44.02 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -34.12 68.95 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.78 -48.04 82.43 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 108.68 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.92 -42.35 97.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -0.774 . . . . 0.0 109.561 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -64.29 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.343 -0.848 . . . . 0.0 109.216 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -59.05 -17.79 28.9 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.493 -0.754 . . . . 0.0 109.528 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -97.38 2.92 51.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -0.844 . . . . 0.0 108.837 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.07 23.72 63.07 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.698 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.25 -18.91 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.07 -1.253 . . . . 0.0 109.155 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 59' ' ' ASN . 80.4 m-20 59.25 51.46 6.84 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.29 -0.8 0.4 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.576 -0.703 . . . . 0.0 109.484 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' B' ' 57' ' ' ASP . 3.4 m120 -62.0 -40.98 97.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.375 -0.828 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.78 87.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.0 110.213 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tp -61.98 -46.51 88.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.922 . . . . 0.0 109.702 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.06 -45.97 86.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.224 -0.922 . . . . 0.0 109.336 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.82 -33.15 73.63 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -50.63 71.62 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.109 -0.994 . . . . 0.0 108.617 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.428 HD13 HG22 ' B' ' 65' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.237 -0.914 . . . . 0.0 109.508 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.383 0.611 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.13 -45.24 94.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.388 -0.82 . . . . 0.0 109.739 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 t -65.14 -33.9 77.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.447 HD21 ' C ' ' A' ' 5' ' ' ASN . 0.4 OUTLIER -59.35 -46.94 87.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.092 -1.005 . . . . 0.0 109.514 -179.144 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.7 -31.64 68.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.069 -1.019 . . . . 0.0 108.962 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.52 -43.45 98.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -62.69 -39.54 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.32 -43.45 93.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.16 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.75 -50.69 67.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.995 -1.066 . . . . 0.0 109.294 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.4 ttp180 -61.56 -41.82 97.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 109.041 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.45 -44.07 98.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.947 -1.096 . . . . 0.0 109.466 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.44 -44.68 96.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.17 -0.956 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.7 mt -92.28 -0.58 57.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.117 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' ARG . 4.5 p 40.7 46.76 2.31 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.677 -0.64 . . . . 0.0 109.327 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 tp -79.97 157.0 26.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.438 -0.789 . . . . 0.0 110.025 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -101.9 137.52 40.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.449 -0.782 . . . . 0.0 110.343 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.51 87.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.595 -0.691 . . . . 0.0 109.797 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.64 -43.62 98.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 109.722 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -60.61 -45.41 94.13 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.163 -0.96 . . . . 0.0 109.886 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.419 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 73.7 t -66.35 -43.83 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 110.215 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.62 72.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 110.533 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.41 -46.4 66.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.041 -1.037 . . . . 0.0 110.701 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.36 -48.66 80.81 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.168 -0.958 . . . . 0.0 109.697 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.419 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 81.0 mtp -62.78 -38.61 91.31 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.078 -1.013 . . . . 0.0 109.985 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.37 19.14 9.06 Favored Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 pt -123.83 162.97 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.723 -0.869 . . . . 0.0 109.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 165.46 22.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.642 0.734 . . . . 0.0 110.427 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -63.19 -35.57 80.74 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.72 -42.38 97.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.459 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.91 -42.33 94.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.586 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.56 -41.08 98.44 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 109.242 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.53 -33.11 72.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.488 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.78 -42.08 96.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.24 -0.913 . . . . 0.0 108.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.33 -44.43 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 109.093 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' NH2' ' A' ' 11' ' ' ARG . 35.3 tt0 -58.8 -22.49 58.5 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -90.95 15.26 11.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -60.0 141.6 55.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.522 -0.737 . . . . 0.0 109.847 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -125.9 -60.25 1.3 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.0 m -116.41 127.48 54.66 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.37 151.42 46.31 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 121.075 -1.016 . . . . 0.0 111.57 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.89 151.72 62.85 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.946 2.431 . . . . 0.0 112.852 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -63.32 -10.3 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.509 -0.744 . . . . 0.0 109.636 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.46 -43.69 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.14 -45.44 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.315 -0.866 . . . . 0.0 109.609 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' B' ' 65' ' ' ILE . 67.7 mttm -62.65 -40.46 97.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.754 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.12 -39.55 82.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 0.0 108.913 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.14 -43.17 97.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.95 74.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.37 -0.831 . . . . 0.0 109.053 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.26 -49.33 78.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.253 -0.904 . . . . 0.0 108.945 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.28 -39.61 68.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.457 -0.777 . . . . 0.0 109.9 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.41 -41.79 90.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 m -58.61 -22.27 55.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.441 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.46 3.33 55.22 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.278 -0.889 . . . . 0.0 109.312 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 20.86 59.41 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 132.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.984 -1.304 . . . . 0.0 109.03 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 3.4 m-20 -71.38 105.11 3.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.491 -0.756 . . . . 0.0 110.762 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 pp -90.5 -17.08 27.7 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 59' ' ' ASN . 1.7 p30 -63.05 -41.29 99.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.539 0.685 . . . . 0.0 109.226 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.3 79.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.328 -0.858 . . . . 0.0 109.782 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.14 -40.97 97.73 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.487 -0.758 . . . . 0.0 109.637 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.16 -41.1 70.83 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.044 -1.035 . . . . 0.0 109.764 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -52.43 -40.92 62.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.08 -1.012 . . . . 0.0 108.98 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' NH1' ' OE1' ' B' ' 6' ' ' GLU . 0.2 OUTLIER -68.63 -37.46 79.75 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.115 -0.991 . . . . 0.0 108.605 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.322 -0.861 . . . . 0.0 110.314 -179.682 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.556 0.693 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.38 -44.33 96.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.469 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 36' ' ' GLU . 5.1 t -67.53 -33.16 74.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.29 -0.881 . . . . 0.0 109.95 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.95 -47.25 86.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.521 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 44.3 mt-10 -73.85 -34.75 64.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.128 -0.982 . . . . 0.0 109.958 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.49 -45.72 93.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.981 . . . . 0.0 109.452 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.99 -43.17 93.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.677 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.0 109.899 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.55 -34.21 70.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.136 -0.978 . . . . 0.0 108.485 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -60.85 -45.34 94.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 108.453 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.409 HG21 HD12 ' B' ' 12' ' ' ILE . 98.0 mt -63.07 -43.12 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.476 -0.765 . . . . 0.0 109.717 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -59.49 -41.03 88.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.0 109.374 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.41 0.2 57.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.317 -0.865 . . . . 0.0 108.977 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p 43.77 64.48 1.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 109.812 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -112.08 147.84 35.18 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.236 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.429 ' OG1' ' OG ' ' B' ' 20' ' ' SER . 14.4 p -100.12 140.16 34.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.493 -0.754 . . . . 0.0 109.876 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.82 91.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.445 -0.784 . . . . 0.0 109.645 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.308 -0.87 . . . . 0.0 109.835 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.429 ' OG ' ' OG1' ' B' ' 17' ' ' THR . 58.2 m -59.95 -45.21 93.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 110.219 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.2 -46.67 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.06 -1.025 . . . . 0.0 109.798 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.78 82.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.272 -0.893 . . . . 0.0 109.911 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -63.77 -54.21 38.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.262 -0.899 . . . . 0.0 110.287 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.83 -40.64 91.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.186 -0.946 . . . . 0.0 109.03 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 62.7 mmm -62.98 -38.91 93.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.586 -0.696 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.9 8.06 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.65 162.66 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.55 -0.971 . . . . 0.0 109.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -65.44 148.2 52.12 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.658 0.742 . . . . 0.0 110.303 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -61.44 -40.8 95.8 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.09 -37.69 86.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.78 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -61.37 -41.56 97.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.032 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.29 -39.84 94.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.262 -0.899 . . . . 0.0 109.024 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -58.86 -33.2 70.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.409 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -62.93 -39.71 95.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.902 -1.124 . . . . 0.0 109.029 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.1 -45.33 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.871 . . . . 0.0 110.836 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' B' ' 4' ' ' SER . 14.5 pt-20 -81.55 -12.41 58.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 109.874 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -104.18 18.71 21.53 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -66.07 158.37 28.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.499 -0.751 . . . . 0.0 109.932 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -116.14 -49.76 2.68 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.766 -0.584 . . . . 0.0 109.773 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -121.19 130.75 53.85 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 109.065 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 146.18 58.32 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.238 -0.913 . . . . 0.0 109.554 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.16 152.6 67.3 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.374 2.049 . . . . 0.0 112.607 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 11.1 m -65.63 -31.06 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.452 -0.78 . . . . 0.0 110.192 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -44.11 -36.79 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.423 -0.798 . . . . 0.0 109.846 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 93.0 t -62.58 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.353 -0.842 . . . . 0.0 109.154 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.86 -44.81 96.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.831 . . . . 0.0 109.311 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.43 -43.29 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.0 109.271 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.86 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.297 -0.877 . . . . 0.0 109.064 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.66 -45.37 94.37 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.16 -40.88 98.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.307 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -63.56 -36.68 84.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.327 -0.858 . . . . 0.0 109.474 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.4 m -56.8 -34.52 67.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.324 -0.86 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.23 -0.11 56.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.532 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.11 25.32 71.47 Favored Glycine 0 N--CA 1.493 2.446 0 C-N-CA 119.901 -1.142 . . . . 0.0 110.295 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 58' ' ' LEU . 40.7 t -54.58 144.86 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.082 -1.246 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.87 70.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.9 tp -89.23 -10.94 45.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 108.796 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -62.39 -42.33 99.34 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.35 88.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.669 -0.644 . . . . 0.0 110.394 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.24 -44.34 97.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.14 -0.975 . . . . 0.0 109.402 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.92 -43.15 84.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.004 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.53 -45.71 18.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.287 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -71.45 -41.66 69.16 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.226 -0.921 . . . . 0.0 110.292 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 96.9 mt . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.779 -1.201 . . . . 0.0 109.882 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.8 -41.19 99.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.898 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.509 ' HG ' ' N ' ' A' ' 5' ' ' ASN . 78.1 p -60.61 -42.02 95.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 110.279 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.509 ' N ' ' HG ' ' A' ' 4' ' ' SER . 52.1 t30 -66.81 -49.66 65.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -59.24 -45.29 91.55 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.4 tp -63.04 -42.35 99.72 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.86 -36.37 83.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.498 -0.751 . . . . 0.0 109.538 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.98 -45.91 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.201 -0.937 . . . . 0.0 109.462 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -67.25 -36.99 82.75 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.066 -1.021 . . . . 0.0 108.756 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' A' ' 36' ' ' GLU . 8.8 ttt85 -58.93 -44.36 91.35 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.37 -41.78 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -54.21 -45.54 72.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.533 -0.729 . . . . 0.0 109.412 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -95.88 -2.06 48.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.197 -0.94 . . . . 0.0 108.615 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p 44.33 79.6 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.545 -0.722 . . . . 0.0 109.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.62 157.62 17.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 p -98.36 128.5 44.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.4 -0.812 . . . . 0.0 109.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.85 85.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.95 -46.56 87.16 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.235 -0.915 . . . . 0.0 110.033 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -64.05 -45.16 90.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 0.0 109.916 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 61.3 t -63.85 -45.65 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 110.14 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.37 90.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -46.6 79.22 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.002 -1.061 . . . . 0.0 109.632 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.3 -44.05 69.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.319 -0.863 . . . . 0.0 109.641 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 76.6 mtp -65.42 -38.89 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 0.0 109.685 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.93 30.29 13.34 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -125.31 164.98 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.649 -0.912 . . . . 0.0 109.527 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -72.43 153.17 41.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.304 -0.872 . . . . 0.0 110.097 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -63.06 -36.27 83.0 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.654 HE21 HD22 ' A' ' 34' ' ' ASN . 68.2 tp60 -61.92 -39.69 92.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.276 -0.89 . . . . 0.0 108.678 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -63.65 -44.65 93.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.42 -42.44 98.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.223 -0.923 . . . . 0.0 109.073 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.91 -34.88 78.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.294 -0.879 . . . . 0.0 109.682 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.654 HD22 HE21 ' A' ' 30' ' ' GLN . 12.4 m120 -62.22 -41.28 98.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 109.797 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.9 -44.85 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 109.797 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' A' ' 11' ' ' ARG . 40.0 tt0 -63.16 -22.88 67.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.191 -0.943 . . . . 0.0 108.992 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' O ' ' OG ' ' A' ' 38' ' ' SER . 77.4 mt-30 -93.22 -5.64 49.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.386 -0.821 . . . . 0.0 109.168 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 37' ' ' GLN . 8.7 m -174.75 119.7 0.22 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -0.88 . . . . 0.0 109.398 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -113.22 125.48 54.37 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.461 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.479 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 49.9 p -97.48 134.79 40.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.434 -0.791 . . . . 0.0 109.225 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.51 90.44 14.63 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.408 -0.808 . . . . 0.0 109.352 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.85 163.82 30.77 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.025 1.816 . . . . 0.0 112.736 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -58.41 -20.72 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.499 -0.751 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.06 -45.24 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 109.424 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.96 -45.68 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 109.689 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -62.93 -37.17 85.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 109.431 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' OH ' ' NH1' ' B' ' 11' ' ' ARG . 16.4 t80 -55.49 -43.86 76.0 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.23 -44.55 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.458 -0.776 . . . . 0.0 109.359 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.36 71.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.293 -0.879 . . . . 0.0 109.174 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -60.29 -45.39 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.4 -37.68 86.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.452 -0.78 . . . . 0.0 109.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 mtm105 -59.99 -32.92 71.3 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.326 -0.859 . . . . 0.0 109.604 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -54.31 -38.49 66.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.133 -0.98 . . . . 0.0 109.243 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' CD1' ' B' ' 16' ' ' LEU . 49.2 mtmt -84.57 -0.33 52.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.193 -0.942 . . . . 0.0 109.664 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.9 26.39 45.5 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.671 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.48 133.0 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.912 -1.346 . . . . 0.0 108.634 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -79.68 89.96 5.18 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.349 -0.844 . . . . 0.0 110.27 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.571 ' H ' ' CD2' ' A' ' 58' ' ' LEU . 1.7 pt? -87.44 -22.22 25.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.399 -0.813 . . . . 0.0 109.319 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -66.07 -40.57 90.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.84 . . . . 0.0 109.207 -179.388 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.97 72.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 0.0 110.039 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' CD1' ' OE2' ' B' ' 10' ' ' GLU . 93.7 mt -64.02 -44.27 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.133 -0.98 . . . . 0.0 109.406 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.47 -46.89 74.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.807 . . . . 0.0 110.208 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.881 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -65.75 -45.16 83.61 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.414 HD13 HG21 ' A' ' 65' ' ' ILE . 92.2 mt . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.391 -0.818 . . . . 0.0 111.584 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.538 0.685 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.11 -40.93 95.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.409 -0.807 . . . . 0.0 109.86 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -57.76 -38.89 76.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 109.021 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.97 -39.86 91.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.457 -0.777 . . . . 0.0 109.341 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -58.51 -43.42 89.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.72 -41.3 99.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 109.524 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -62.33 -36.6 82.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.919 -1.113 . . . . 0.0 109.28 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.34 -46.7 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.084 -1.01 . . . . 0.0 109.561 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.451 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 79.6 mt-10 -63.4 -37.73 88.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.992 -1.068 . . . . 0.0 109.323 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.424 ' NH1' ' OH ' ' A' ' 47' ' ' TYR . 7.0 tpt180 -60.03 -46.73 88.54 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.317 -0.865 . . . . 0.0 109.042 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -74.17 -35.01 39.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -58.3 -46.46 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.381 -0.824 . . . . 0.0 109.397 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.46 ' C ' ' HG ' ' B' ' 15' ' ' SER . 78.6 mt -97.77 -0.06 45.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 109.033 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.46 ' HG ' ' C ' ' B' ' 14' ' ' LEU . 5.0 p 41.54 68.51 0.44 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.593 -0.692 . . . . 0.0 109.81 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.444 ' CD1' ' NZ ' ' A' ' 54' ' ' LYS . 53.4 mt -79.02 155.92 28.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.394 -0.816 . . . . 0.0 109.401 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -97.36 140.45 31.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.219 -0.926 . . . . 0.0 109.894 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.39 83.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.22 -0.925 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.15 -45.57 94.1 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.295 -0.878 . . . . 0.0 109.852 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t -62.31 -51.55 67.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 110.397 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.0 -45.33 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.09 -1.006 . . . . 0.0 109.831 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.469 ' CB ' ' NH1' ' B' ' 29' ' ' ARG . . . -64.4 -35.77 81.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.287 -0.883 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.97 -52.71 63.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.032 -1.043 . . . . 0.0 110.585 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -69.15 -40.56 78.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.841 -1.162 . . . . 0.0 109.73 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 78.1 mmm -64.57 -39.31 93.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.421 -0.8 . . . . 0.0 109.595 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.32 30.86 23.9 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.32 163.56 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.546 -0.973 . . . . 0.0 109.554 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -73.05 163.73 27.73 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.332 -0.855 . . . . 0.0 109.979 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.469 ' NH1' ' CB ' ' B' ' 22' ' ' ALA . 71.1 mmt-85 -64.23 -36.84 85.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.42 -42.33 95.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.035 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -63.39 -44.79 93.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.57 -42.3 98.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.365 -0.834 . . . . 0.0 109.464 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . 0.59 ' SG ' ' NE2' ' B' ' 37' ' ' GLN . 0.5 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.278 -0.889 . . . . 0.0 109.521 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -62.34 -41.29 98.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.101 -0.999 . . . . 0.0 109.659 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.96 -48.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 109.692 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.56 -32.32 72.15 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.205 -0.935 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.59 ' NE2' ' SG ' ' B' ' 33' ' ' CYS . 53.1 mt-30 -86.88 -3.18 59.04 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.994 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -171.12 101.55 0.21 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.045 -1.034 . . . . 0.0 109.872 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.06 100.11 13.02 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.9 p -68.45 136.91 53.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 0.0 109.763 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.25 82.58 38.39 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 0.0 109.363 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.91 158.58 42.46 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.24 1.96 . . . . 0.0 112.679 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 m -50.27 -15.38 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.528 -0.733 . . . . 0.0 110.259 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.75 -45.71 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.081 -1.012 . . . . 0.0 109.054 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.84 -42.95 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -0.893 . . . . 0.0 108.845 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -60.0 -37.82 80.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.456 -0.778 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -48.51 81.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.153 -0.967 . . . . 0.0 108.863 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.417 HG23 HD11 ' B' ' 48' ' ' ILE . 65.1 mt -61.92 -43.0 96.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 109.525 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -51.35 -45.26 62.28 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.191 -0.943 . . . . 0.0 109.371 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' B' ' 53' ' ' SER . 41.5 t80 -60.14 -44.42 94.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.169 -0.957 . . . . 0.0 108.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.23 -37.91 87.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.305 -0.872 . . . . 0.0 109.108 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 69.3 mtm180 -60.06 -29.58 68.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 86.2 p -53.21 -33.79 54.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 108.844 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -95.4 -2.84 48.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.148 -0.97 . . . . 0.0 109.458 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.56 41.03 25.82 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' LEU . 76.9 t -65.84 134.57 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.255 . . . . 0.0 109.753 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -52.12 86.45 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.491 -0.755 . . . . 0.0 110.147 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 2.5 pp -90.7 -27.8 18.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 109.474 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -63.69 -44.78 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.926 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.417 ' O ' ' NH1' ' B' ' 64' ' ' ARG . . . -70.55 -38.32 74.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.278 -0.889 . . . . 0.0 109.646 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.18 -44.53 96.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.877 . . . . 0.0 109.596 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.74 -38.58 80.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.218 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.47 -47.82 78.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.906 -1.121 . . . . 0.0 110.66 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' B' ' 60' ' ' ALA . 54.4 mtt85 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.004 -1.06 . . . . 0.0 110.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.005 . . . . 0.0 111.148 -178.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.41 -45.42 94.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.124 . . . . 0.0 109.861 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 t -75.13 -32.37 61.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.232 -0.918 . . . . 0.0 109.215 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.495 ' C ' HD21 ' A' ' 5' ' ' ASN . 0.2 OUTLIER -64.46 -46.59 82.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.498 -0.751 . . . . 0.0 109.616 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -71.7 -38.17 70.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.339 -0.851 . . . . 0.0 109.842 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.63 -41.34 98.97 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.231 -0.918 . . . . 0.0 108.817 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.79 -37.61 87.37 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.699 -0.625 . . . . 0.0 109.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.53 -44.27 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.132 -0.98 . . . . 0.0 108.784 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -55.96 -40.16 72.82 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.342 -0.849 . . . . 0.0 108.828 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.44 -49.68 76.61 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.199 -0.938 . . . . 0.0 108.827 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.02 -43.84 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.738 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -65.02 -41.12 95.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.404 -0.81 . . . . 0.0 109.748 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -84.26 -3.89 58.5 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 p 44.01 69.26 0.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.552 -0.717 . . . . 0.0 110.148 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.595 ' CD2' ' HZ3' ' B' ' 54' ' ' LYS . 91.6 mt -103.64 147.68 26.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.516 -0.74 . . . . 0.0 109.819 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.421 ' HG1' ' CB ' ' A' ' 20' ' ' SER . 37.1 p -98.34 131.74 44.39 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.538 0.685 . . . . 0.0 109.78 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -35.52 80.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.65 -47.08 85.27 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.755 . . . . 0.0 110.028 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.421 ' CB ' ' HG1' ' A' ' 17' ' ' THR . 46.4 t -60.11 -45.38 93.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 0.0 110.151 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.507 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 74.2 t -67.48 -42.76 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.928 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.86 85.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.281 -0.887 . . . . 0.0 110.382 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.15 -44.94 95.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.989 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.356 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 92.7 mtp -65.04 -38.25 90.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.393 -0.817 . . . . 0.0 109.695 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 31.36 7.8 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 pt -124.7 161.45 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.526 -0.985 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -76.04 162.38 28.09 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.229 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -62.84 -33.73 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.33 -40.48 93.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.307 -0.871 . . . . 0.0 109.54 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.08 -41.44 96.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.322 -0.861 . . . . 0.0 108.913 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -64.65 -41.64 95.97 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.9 m -66.91 -32.87 74.42 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.536 -0.727 . . . . 0.0 109.9 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' O ' ' OG ' ' A' ' 38' ' ' SER . 72.0 m-20 -60.64 -43.71 97.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.0 109.924 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.86 -46.18 96.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 120.994 -1.066 . . . . 0.0 109.581 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -77.32 -6.14 52.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.323 -0.861 . . . . 0.0 109.691 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -107.86 -23.81 11.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.416 -0.803 . . . . 0.0 108.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 34' ' ' ASN . 14.5 m -82.9 -143.16 0.06 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.349 -0.844 . . . . 0.0 110.256 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.589 ' C ' ' H ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -87.73 -18.91 28.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.426 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.3 m 60.84 -5.11 0.11 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.72 -0.613 . . . . 0.0 109.81 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.589 ' H ' ' C ' ' A' ' 39' ' ' GLU . . . -131.01 84.95 56.45 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.44 -0.788 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.01 158.65 52.05 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.314 2.009 . . . . 0.0 112.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -56.2 -16.65 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.12 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -61.32 -42.52 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.65 -44.08 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.264 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.69 -39.85 90.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.283 -0.886 . . . . 0.0 109.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -47.88 77.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.69 -43.45 98.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.693 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.49 94.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.691 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.423 ' O ' ' OG ' ' A' ' 53' ' ' SER . 44.5 t80 -62.77 -42.68 99.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.407 -0.808 . . . . 0.0 109.743 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.074 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.6 -35.97 77.42 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.435 -0.791 . . . . 0.0 109.6 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 65.1 p -55.56 -22.42 21.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 109.684 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -96.08 -4.27 43.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.077 -1.014 . . . . 0.0 108.841 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.62 28.28 22.21 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.73 135.03 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.127 -1.22 . . . . 0.0 110.261 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.456 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 38.0 p30 -74.92 100.1 4.02 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.874 0.845 . . . . 0.0 110.28 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.38 -15.15 29.42 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.671 ' N ' HD21 ' A' ' 59' ' ' ASN . 0.9 OUTLIER -60.44 -49.54 77.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.485 -0.76 . . . . 0.0 109.581 -179.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -43.2 97.09 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.35 -0.844 . . . . 0.0 110.012 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.19 -44.41 92.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.373 -0.829 . . . . 0.0 109.528 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.04 -43.66 70.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 63.9 m-20 -64.58 -32.36 73.97 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -47.5 70.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.303 -1.427 0 O-C-N 121.61 -0.681 . . . . 0.0 109.208 -179.594 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.596 0.713 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.09 -59.04 4.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.561 -0.712 . . . . 0.0 110.077 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.2 p -61.44 -33.03 73.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.894 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -64.6 -45.38 87.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 109.645 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -72.25 -38.32 68.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -0.938 . . . . 0.0 109.566 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.9 -43.62 98.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.385 -0.822 . . . . 0.0 109.496 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.92 -37.67 88.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.499 -0.75 . . . . 0.0 109.644 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.4 -44.3 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.787 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -64.75 -34.99 79.64 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.996 -1.065 . . . . 0.0 109.647 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.535 HH22 ' CD ' ' B' ' 36' ' ' GLU . 48.8 ttp180 -61.83 -38.87 89.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.278 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.46 -42.9 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 CA-C-O 121.434 0.635 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 33.2 mtp-105 -54.11 -43.06 70.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.383 -0.823 . . . . 0.0 109.289 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 84.4 mt -87.56 -4.81 58.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.857 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.0 m 47.56 77.89 0.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.624 -0.672 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.43 138.28 35.12 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.819 0.818 . . . . 0.0 109.778 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.443 ' H ' ' HG1' ' B' ' 17' ' ' THR . 11.8 p -92.05 138.49 31.49 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 109.683 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.25 82.62 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.554 -0.717 . . . . 0.0 109.508 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.66 -48.62 74.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -62.08 -45.01 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.39 -0.819 . . . . 0.0 109.813 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.05 -43.48 85.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.561 -0.712 . . . . 0.0 109.942 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -51.1 71.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.427 -0.796 . . . . 0.0 110.841 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.79 -49.92 73.05 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.183 -0.948 . . . . 0.0 110.445 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.36 -39.69 92.63 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.027 -1.045 . . . . 0.0 109.889 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.05 -35.61 81.73 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.151 -0.968 . . . . 0.0 109.133 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.2 18.91 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 pt -128.72 165.21 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.551 -0.97 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.541 ' HG ' ' N ' ' B' ' 29' ' ' ARG . 28.7 t -79.74 166.29 21.93 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.66 0.743 . . . . 0.0 110.524 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.541 ' N ' ' HG ' ' B' ' 28' ' ' SER . 31.0 mtm180 -64.97 -37.38 87.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.56 -0.713 . . . . 0.0 109.29 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.15 -38.93 92.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.511 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -61.21 -45.61 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 0.0 108.725 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 tp -64.96 -38.83 92.27 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -40.46 76.06 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.555 -0.716 . . . . 0.0 109.677 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -62.09 -43.56 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.382 -0.824 . . . . 0.0 109.364 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 39' ' ' GLU . 66.6 mt -64.18 -45.14 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.368 -0.833 . . . . 0.0 109.226 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.535 ' CD ' HH22 ' B' ' 11' ' ' ARG . 78.9 tt0 -71.74 -17.16 62.22 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.442 -0.786 . . . . 0.0 110.012 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -96.32 -15.51 21.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -0.996 . . . . 0.0 108.835 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.5 p -155.53 47.93 0.52 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' B' ' 40' ' ' THR . 0.0 OUTLIER -52.22 -81.83 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.522 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m 53.47 158.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.724 0.773 . . . . 0.0 110.853 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.94 125.44 60.7 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.89 -1.131 . . . . 0.0 110.345 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.69 161.81 30.46 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.622 2.215 . . . . 0.0 112.504 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.97 -20.44 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.245 -0.909 . . . . 0.0 109.459 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.41 -43.77 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.408 -0.807 . . . . 0.0 109.434 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.89 -41.29 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.424 -0.797 . . . . 0.0 109.438 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.73 -41.28 86.07 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.272 -0.893 . . . . 0.0 109.562 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -45.92 91.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.045 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.67 -43.18 94.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.154 -0.966 . . . . 0.0 109.465 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.25 90.42 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.146 -0.971 . . . . 0.0 109.871 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -46.06 90.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.169 -0.957 . . . . 0.0 109.548 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.48 -38.38 90.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.48 -0.762 . . . . 0.0 109.277 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.82 96.22 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.799 . . . . 0.0 109.815 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -64.65 -15.99 62.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 0.0 109.757 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.595 ' HZ3' ' CD2' ' A' ' 16' ' ' LEU . 98.5 mttt -88.89 7.96 31.75 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.67 13.8 74.74 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.58 136.15 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.328 . . . . 0.0 109.967 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.83 80.0 9.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.567 -0.708 . . . . 0.0 111.085 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 4.0 mm? -68.09 -40.96 82.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -46.76 47.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.448 -0.782 . . . . 0.0 109.434 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.91 85.69 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.543 -0.723 . . . . 0.0 109.856 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.416 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -67.6 -35.55 79.19 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.399 -0.813 . . . . 0.0 109.298 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.58 -31.52 68.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.525 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' B' ' 64' ' ' ARG . 28.9 mtp85 -59.71 -34.09 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 108.643 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 109.802 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.261 0.553 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.94 -44.59 95.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.221 -0.925 . . . . 0.0 109.828 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p -62.28 -35.69 79.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 109.63 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -64.83 -39.91 94.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.411 -0.806 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 37.1 mm-40 -59.76 -52.28 66.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 110.08 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.84 -39.19 90.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 109.522 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -59.51 -40.36 86.82 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.211 -0.931 . . . . 0.0 109.328 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.19 -45.68 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 109.859 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 1.2 mp0 -61.06 -40.82 95.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.31 -0.868 . . . . 0.0 110.209 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 15' ' ' SER . 52.5 mtp180 -58.81 -42.98 90.42 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.92 -1.112 . . . . 0.0 108.452 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.94 -43.33 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -60.82 -44.95 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.334 -0.854 . . . . 0.0 109.468 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' SER . 91.4 mt -92.78 -2.01 56.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 108.658 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.1 t 36.78 64.26 0.59 Allowed 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.359 0.6 . . . . 0.0 110.331 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -107.28 134.95 49.62 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.469 0.652 . . . . 0.0 109.592 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.436 ' H ' ' HG1' ' A' ' 17' ' ' THR . 12.4 p -82.52 158.74 23.03 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.66 0.743 . . . . 0.0 110.412 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.36 -38.28 74.75 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.9 -46.98 82.42 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -61.09 -45.53 94.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.886 . . . . 0.0 109.374 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.92 -42.74 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.388 -0.82 . . . . 0.0 109.481 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.65 89.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.466 -0.771 . . . . 0.0 109.832 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -62.04 -49.99 73.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.121 -0.987 . . . . 0.0 109.755 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' OE1' ' CE1' ' B' ' 50' ' ' PHE . 4.7 tm-20 -70.4 -43.07 70.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.938 . . . . 0.0 110.064 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.8 -39.17 90.67 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.599 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.09 18.08 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.99 166.15 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.466 -1.02 . . . . 0.0 110.028 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.488 ' HG ' ' H ' ' A' ' 31' ' ' GLN . 17.0 p -73.43 161.55 30.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.672 0.749 . . . . 0.0 110.169 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -64.91 -38.86 92.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.518 -0.739 . . . . 0.0 109.243 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -65.26 -40.02 93.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.394 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.488 ' H ' ' HG ' ' A' ' 28' ' ' SER . 68.5 tp60 -61.15 -43.62 98.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.363 -0.836 . . . . 0.0 109.357 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.345 -0.847 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.64 -38.96 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.414 -0.804 . . . . 0.0 109.856 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 38' ' ' SER . 36.0 t30 -63.16 -37.38 87.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 109.919 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.47 -42.7 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.832 . . . . 0.0 109.257 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -65.17 -37.89 88.81 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.164 -0.96 . . . . 0.0 110.478 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -109.05 19.74 19.19 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.346 -0.846 . . . . 0.0 109.206 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' ASN . 7.7 t -61.33 -40.7 95.2 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 0.0 109.68 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 56.63 -88.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.573 0.701 . . . . 0.0 109.761 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' SER . 9.5 m -56.77 97.15 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.3 -0.875 . . . . 0.0 109.462 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.87 151.16 76.22 Favored Pre-proline 0 C--N 1.304 -1.405 0 O-C-N 121.48 -0.762 . . . . 0.0 109.61 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.01 152.22 80.66 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.514 2.143 . . . . 0.0 112.951 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 p -63.73 -26.64 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.87 -33.81 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.018 -1.052 . . . . 0.0 109.619 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.51 -43.97 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.22 -0.925 . . . . 0.0 108.867 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.39 -40.99 98.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.537 -0.727 . . . . 0.0 109.501 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.02 -41.46 98.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -0.849 . . . . 0.0 109.082 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.85 -43.77 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.327 -0.858 . . . . 0.0 108.841 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.82 70.36 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.36 -0.837 . . . . 0.0 108.987 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -62.9 -49.21 75.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.452 -0.78 . . . . 0.0 109.658 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.05 -21.89 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.453 -0.779 . . . . 0.0 109.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -61.91 -42.8 99.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -58.8 -33.49 70.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.603 -0.686 . . . . 0.0 109.223 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -75.52 1.6 13.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.228 -0.92 . . . . 0.0 108.643 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.94 32.54 84.36 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.91 -21.31 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.71 -1.465 . . . . 0.0 108.95 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.558 ' OD1' ' ND2' ' A' ' 59' ' ' ASN . 25.6 t0 66.84 82.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.549 0.69 . . . . 0.0 109.866 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.6 mt -92.06 -27.38 17.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.657 -0.652 . . . . 0.0 109.459 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.558 ' ND2' ' OD1' ' A' ' 57' ' ' ASP . 1.4 p-10 -43.14 -41.23 3.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -41.55 73.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' LEU . 3.4 tt -63.06 -50.08 72.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.349 -0.844 . . . . 0.0 109.389 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.44 -0.788 . . . . 0.0 109.832 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.75 -37.53 51.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.396 -0.815 . . . . 0.0 109.912 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -71.19 -9.57 58.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.131 -0.98 . . . . 0.0 109.68 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.302 -0.874 . . . . 0.0 109.299 179.828 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.736 0.779 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.5 -43.52 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.522 -0.736 . . . . 0.0 109.791 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -66.06 -40.28 90.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.223 -0.923 . . . . 0.0 110.188 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -64.77 -45.99 84.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 110.059 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.78 -36.54 78.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.253 -0.905 . . . . 0.0 109.232 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.9 tp -62.92 -41.75 99.57 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 109.246 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.46 ' HZ2' HH11 ' B' ' 11' ' ' ARG . 11.5 mmtt -64.99 -37.79 88.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.458 -0.776 . . . . 0.0 110.028 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.47 -44.18 92.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.344 -0.848 . . . . 0.0 109.223 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -64.39 -43.0 95.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.16 -0.963 . . . . 0.0 110.067 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 15' ' ' SER . 43.0 ttt180 -60.91 -44.89 96.54 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.904 -1.122 . . . . 0.0 109.109 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.12 -42.3 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -45.32 78.67 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' B' ' 15' ' ' SER . 91.3 mt -92.24 -2.14 56.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.514 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.5 m 36.41 73.22 0.09 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.271 0.558 . . . . 0.0 110.236 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -101.43 138.17 38.8 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.684 0.754 . . . . 0.0 109.995 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p -82.04 136.71 35.19 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.557 0.694 . . . . 0.0 110.131 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.75 85.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.463 -0.773 . . . . 0.0 109.666 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.87 -47.64 82.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.828 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.9 -46.28 88.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 110.075 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.68 -43.51 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.28 -0.887 . . . . 0.0 109.839 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.21 86.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.438 -0.789 . . . . 0.0 109.995 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.53 -45.33 79.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.959 . . . . 0.0 109.61 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -74.44 -36.49 63.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.974 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mmm -64.65 -36.37 84.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.368 -0.832 . . . . 0.0 109.259 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.38 24.16 27.15 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.0 pt -124.62 165.38 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.494 -1.003 . . . . 0.0 109.934 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -72.69 160.43 32.23 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.454 -0.778 . . . . 0.0 110.267 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.7 -40.71 97.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.57 -0.706 . . . . 0.0 109.28 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.37 -40.96 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.422 -0.799 . . . . 0.0 109.635 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.45 -39.83 94.63 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 109.226 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.99 -40.98 97.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.278 -0.889 . . . . 0.0 109.328 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.12 -35.52 78.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.468 -0.77 . . . . 0.0 109.35 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.27 -39.67 93.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.335 -0.853 . . . . 0.0 109.055 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.53 -43.94 98.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.435 -0.79 . . . . 0.0 109.125 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.94 -34.35 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 109.3 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -92.72 14.94 15.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.51 -0.743 . . . . 0.0 109.09 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 35.7 t -58.03 136.28 57.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.371 -0.83 . . . . 0.0 110.125 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -105.49 -69.48 0.82 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.625 -0.672 . . . . 0.0 109.239 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -95.63 116.19 28.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.102 -0.999 . . . . 0.0 109.376 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 150.88 87.66 Favored Pre-proline 0 N--CA 1.487 1.396 0 O-C-N 121.34 -0.85 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -66.11 151.26 84.17 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.54 2.16 . . . . 0.0 112.821 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -67.32 -19.17 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 109.969 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' B' ' 45' ' ' VAL . 9.3 p -56.03 -40.25 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.0 109.438 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.431 ' N ' ' CG1' ' B' ' 44' ' ' VAL . 89.8 t -63.89 -44.01 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.1 -41.71 99.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.361 -0.837 . . . . 0.0 109.208 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.36 -43.85 97.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.414 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.06 -43.22 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.366 -0.834 . . . . 0.0 109.337 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.43 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -55.8 -38.54 70.08 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.272 -0.892 . . . . 0.0 109.522 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' OE1' ' A' ' 24' ' ' GLU . 10.8 t80 -62.64 -46.9 86.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.408 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.56 -40.62 93.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.3 -0.875 . . . . 0.0 109.948 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.43 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 73.1 mtm180 -64.15 -37.98 89.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.273 -0.892 . . . . 0.0 109.276 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 94.6 p -61.27 -19.05 61.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.293 -0.879 . . . . 0.0 109.33 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -94.93 2.07 55.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.264 -0.897 . . . . 0.0 108.932 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' B' ' 57' ' ' ASP . . . 73.89 25.04 72.68 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.772 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' B' ' 56' ' ' VAL . 54.9 t -60.77 -2.94 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.643 -1.504 . . . . 0.0 109.617 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' B' ' 55' ' ' GLY . 17.4 m-20 57.62 69.94 0.7 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.642 -0.661 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.57 -1.26 29.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.374 -0.829 . . . . 0.0 108.893 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -63.0 -41.91 99.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.604 -0.685 . . . . 0.0 109.623 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.12 75.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 110.319 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.64 -51.26 70.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.159 -0.963 . . . . 0.0 109.899 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.88 -38.41 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.373 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.53 -22.84 56.67 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.2 -0.937 . . . . 0.0 108.558 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -86.87 -30.13 21.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.979 -1.075 . . . . 0.0 109.601 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 N--CA 1.498 1.975 0 O-C-N 120.976 -1.077 . . . . 0.0 110.169 179.779 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.706 0.765 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.97 -39.38 94.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.757 -0.59 . . . . 0.0 110.423 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -55.48 -38.2 68.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.946 . . . . 0.0 110.29 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.9 -46.4 85.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.886 -1.134 . . . . 0.0 109.52 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -70.89 -42.24 70.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.144 -0.972 . . . . 0.0 109.222 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.34 -41.33 98.87 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.144 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.17 -39.08 85.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.0 109.262 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.5 -44.53 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.913 . . . . 0.0 109.096 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -56.52 -41.8 77.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.216 -0.927 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -59.18 -44.53 92.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.046 -1.033 . . . . 0.0 108.497 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.401 HG21 HD12 ' A' ' 12' ' ' ILE . 95.8 mt -72.39 -25.44 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.618 -0.676 . . . . 0.0 109.585 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -59.11 -44.58 92.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.749 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' C ' ' HG ' ' A' ' 15' ' ' SER . 96.5 mt -101.44 2.35 39.26 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.476 ' HG ' ' C ' ' A' ' 14' ' ' LEU . 4.7 p 47.62 77.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.378 -0.826 . . . . 0.0 110.629 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.71 157.77 15.75 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.401 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 6.5 p -102.68 133.86 47.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.625 -0.672 . . . . 0.0 109.284 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.24 90.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 0.0 109.807 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.19 -47.04 84.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.208 -0.933 . . . . 0.0 110.204 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.401 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 20.2 m -61.18 -44.3 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.11 -0.994 . . . . 0.0 110.167 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -62.92 -46.51 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.041 -1.037 . . . . 0.0 109.936 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.45 91.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.943 . . . . 0.0 109.933 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -68.88 -43.39 75.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.099 -1.0 . . . . 0.0 109.94 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -67.45 -45.41 76.09 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.154 -0.966 . . . . 0.0 110.147 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.0 mtp -65.51 -39.0 91.33 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.28 -0.888 . . . . 0.0 109.755 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.68 27.48 6.71 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 pt -125.23 162.87 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.543 -0.975 . . . . 0.0 109.434 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -75.7 157.73 33.23 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 110.049 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 54.7 mtm180 -65.07 -26.71 68.36 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.492 -0.755 . . . . 0.0 109.231 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.41 -44.82 96.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 109.065 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.97 -43.6 87.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.1 -41.38 97.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.356 -0.84 . . . . 0.0 109.12 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 97.1 m -62.22 -34.16 75.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.058 . . . . 0.0 109.745 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.47 -44.7 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.962 . . . . 0.0 109.474 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.39 -35.69 73.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -96.76 38.54 1.21 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.856 . . . . 0.0 110.27 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -159.15 124.75 4.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.0 -69.26 0.73 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.248 -0.907 . . . . 0.0 110.079 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 28.5 p -37.39 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.453 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.64 153.91 41.14 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.578 -0.701 . . . . 0.0 109.139 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.06 151.66 84.36 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.765 2.31 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.39 -18.67 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.498 -0.751 . . . . 0.0 110.26 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 45' ' ' VAL . 9.9 p -55.77 -40.38 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.959 . . . . 0.0 109.281 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.43 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 90.5 t -62.65 -46.03 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.209 -0.932 . . . . 0.0 109.084 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.28 -38.46 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.334 -0.854 . . . . 0.0 109.051 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.94 -41.65 87.92 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 109.124 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.31 -43.77 98.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.174 -0.954 . . . . 0.0 109.113 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -36.69 80.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.283 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.61 -46.39 90.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.178 -0.951 . . . . 0.0 109.367 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.62 -42.1 99.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 0.0 109.15 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -60.94 -41.98 97.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 109.386 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 t -59.0 -18.55 35.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.893 . . . . 0.0 109.325 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -93.23 2.64 56.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.309 -0.87 . . . . 0.0 108.956 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.98 9.93 61.8 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.88 133.59 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.941 -1.329 . . . . 0.0 109.149 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.84 111.21 20.55 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 110.409 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 3.3 mm? -90.63 -10.91 41.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.413 -0.804 . . . . 0.0 109.191 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 7.1 p30 -63.51 -39.54 94.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.801 . . . . 0.0 109.257 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.977 . . . . 0.0 109.576 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 61' ' ' LEU . 4.0 mm? -62.72 -44.91 94.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.363 -0.836 . . . . 0.0 109.933 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.45 -43.14 73.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 0.0 109.688 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.88 -36.68 84.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -44.54 96.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.557 -0.714 . . . . 0.0 109.2 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.412 HD13 HG23 ' A' ' 65' ' ' ILE . 93.6 mt . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.0 110.081 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.48 0.657 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.56 -41.82 98.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.693 . . . . 0.0 109.718 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -58.26 -43.05 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.184 -0.948 . . . . 0.0 109.501 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -62.92 -44.0 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.979 . . . . 0.0 110.111 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -70.4 -32.52 70.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.051 -1.031 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.22 -45.64 93.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.62 -37.71 88.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.534 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.39 -44.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.02 -1.05 . . . . 0.0 109.846 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -61.6 -35.56 78.2 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.893 -1.13 . . . . 0.0 109.115 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -59.69 -44.59 93.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.56 -44.55 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -63.3 -36.2 82.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.336 -0.852 . . . . 0.0 109.167 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' B' ' 15' ' ' SER . 63.4 mt -79.28 -4.93 53.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.404 ' C ' ' O ' ' B' ' 14' ' ' LEU . 3.1 t 38.63 57.0 1.84 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 122.004 -0.435 . . . . 0.0 110.134 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' B' ' 16' ' ' LEU . 3.5 pp -106.34 150.81 25.61 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.574 -0.704 . . . . 0.0 109.992 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -94.03 137.85 32.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.24 -0.913 . . . . 0.0 110.42 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.21 83.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.612 -0.68 . . . . 0.0 109.864 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.06 -44.33 97.55 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.126 -0.984 . . . . 0.0 109.83 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -62.14 -44.37 96.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.461 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 77.4 t -64.32 -44.41 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.779 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.78 82.68 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.42 -45.86 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.006 -1.059 . . . . 0.0 110.598 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.85 -46.64 77.73 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.142 -0.974 . . . . 0.0 110.341 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.461 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 93.8 mtp -66.06 -38.88 89.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.354 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.44 32.37 6.37 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.407 HG22 HD13 ' B' ' 27' ' ' ILE . 43.9 pt -126.35 163.27 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.517 -0.99 . . . . 0.0 109.836 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -79.81 158.6 26.77 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.793 0.806 . . . . 0.0 110.245 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.8 mtm-85 -62.0 -35.83 79.71 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.516 -0.74 . . . . 0.0 109.267 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.87 -40.72 94.01 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.679 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.89 -45.88 90.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.081 -1.012 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.06 -40.45 96.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.483 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.94 -36.06 76.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.299 -0.876 . . . . 0.0 109.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -62.31 -40.39 96.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.827 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.13 -43.55 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.507 -0.746 . . . . 0.0 109.757 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.38 -36.4 80.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.5 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.61 0.28 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.136 -0.977 . . . . 0.0 109.392 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -71.63 139.47 49.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.576 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -104.37 -48.27 3.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.347 -0.845 . . . . 0.0 108.798 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -105.89 162.53 13.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.98 142.71 25.17 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.332 -0.855 . . . . 0.0 109.128 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -66.16 160.35 45.28 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.116 1.877 . . . . 0.0 112.395 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.16 -31.23 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.403 -0.811 . . . . 0.0 110.814 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 p -46.47 -37.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.07 -44.02 95.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.62 -33.0 74.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -57.8 -46.14 85.08 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.01 91.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.254 -0.904 . . . . 0.0 110.312 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.413 ' O ' ' OG ' ' B' ' 53' ' ' SER . 10.1 t80 -62.0 -48.01 82.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.053 -1.029 . . . . 0.0 109.64 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.9 -41.33 99.4 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.097 -1.002 . . . . 0.0 109.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' B' ' 52' ' ' ARG . 26.8 mtp85 -62.69 -36.1 81.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.667 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 55.8 p -58.92 -19.2 40.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.246 -0.909 . . . . 0.0 108.712 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -97.09 -1.15 45.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.351 -0.843 . . . . 0.0 109.119 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . 0.475 ' O ' ' OD2' ' B' ' 57' ' ' ASP . . . 84.08 23.95 50.16 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.296 -0.954 . . . . 0.0 110.9 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.38 -45.57 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.903 -1.351 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 55' ' ' GLY . 1.1 m-20 65.38 61.74 0.7 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.339 -0.851 . . . . 0.0 109.684 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.406 HD22 ' H ' ' B' ' 58' ' ' LEU . 0.3 OUTLIER -88.52 -2.43 58.59 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.073 -1.017 . . . . 0.0 108.906 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -56.23 -50.75 70.4 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.357 -0.84 . . . . 0.0 108.923 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.89 -21.97 50.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.171 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.99 -53.58 55.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.029 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -85.26 -23.63 28.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.813 -1.179 . . . . 0.0 110.318 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.1 -34.7 57.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.762 -1.211 . . . . 0.0 109.032 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -59.15 -33.4 70.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.023 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.266 -0.896 . . . . 0.0 109.952 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.442 0.639 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -46.32 90.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.258 -0.901 . . . . 0.0 109.196 -178.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.7 t -63.5 -42.0 98.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.131 -0.981 . . . . 0.0 109.313 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.26 -40.62 96.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.28 -50.88 71.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.046 . . . . 0.0 110.361 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 8.7 mp -63.14 -41.54 99.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.969 -1.082 . . . . 0.0 109.245 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.29 -42.15 99.1 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.64 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.93 . . . . 0.0 110.201 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.14 -38.64 91.97 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 109.355 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' NH1' ' CD ' ' A' ' 36' ' ' GLU . 49.8 ttt180 -59.17 -42.45 90.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.576 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.408 HD13 HG22 ' A' ' 12' ' ' ILE . 96.9 mt -65.79 -42.51 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.712 -0.618 . . . . 0.0 109.81 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -54.66 -44.3 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.015 -1.053 . . . . 0.0 110.017 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.34 -4.23 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.006 -1.059 . . . . 0.0 108.575 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t 50.54 75.94 0.16 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 110.717 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.92 137.01 49.08 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.475 ' HG1' ' H ' ' A' ' 20' ' ' SER . 65.0 p -86.58 158.75 19.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.471 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.64 81.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.0 109.277 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.02 -45.94 89.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.452 -0.78 . . . . 0.0 110.128 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.475 ' H ' ' HG1' ' A' ' 17' ' ' THR . 65.4 m -60.45 -45.97 91.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.953 -1.092 . . . . 0.0 109.658 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.05 -44.82 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.597 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' GLY . . . -63.76 -38.84 92.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.4 -41.28 89.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.865 . . . . 0.0 108.967 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.96 -52.83 17.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -0.923 . . . . 0.0 109.297 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.3 mtp -65.84 -39.4 90.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.404 -0.81 . . . . 0.0 109.572 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 87.26 40.36 6.98 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 pt -127.04 164.79 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.439 -1.036 . . . . 0.0 109.979 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 154.69 40.95 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.222 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -64.56 -37.31 87.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.455 -0.778 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.46 -41.88 95.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 109.549 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.44 -40.96 98.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 0.0 109.081 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.31 -39.91 95.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.281 -0.887 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.0 m -57.0 -42.51 80.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.104 -0.998 . . . . 0.0 109.202 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -64.61 -41.69 96.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.268 -0.895 . . . . 0.0 109.408 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.21 -43.39 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.701 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' CD ' ' NH1' ' A' ' 11' ' ' ARG . 27.0 mt-10 -54.85 -46.03 74.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.195 -0.94 . . . . 0.0 109.592 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' SER . 15.8 pt20 -93.7 21.31 6.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 108.969 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 p -41.93 103.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.561 -0.712 . . . . 0.0 109.782 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.18 -81.45 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.504 -0.747 . . . . 0.0 109.716 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.2 t -103.04 161.08 14.06 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.356 -0.84 . . . . 0.0 109.789 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . . . -87.27 149.33 46.86 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.121 -0.987 . . . . 0.0 109.4 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.87 165.22 31.84 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.556 2.171 . . . . 0.0 112.17 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 m -59.49 -28.51 40.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.413 -0.804 . . . . 0.0 109.809 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.34 -46.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.053 -1.03 . . . . 0.0 109.952 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.2 -43.68 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.08 -1.013 . . . . 0.0 109.631 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' NZ ' ' O ' ' A' ' 41' ' ' ALA . 63.3 mttp -60.7 -42.41 97.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -61.9 -42.78 99.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.195 -0.941 . . . . 0.0 109.315 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.37 -43.84 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 0.0 109.2 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -35.19 76.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.203 -0.936 . . . . 0.0 108.911 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -60.38 -46.39 90.12 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.0 -40.98 99.39 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -62.34 -37.06 84.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.0 109.504 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -61.73 -19.13 62.09 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.186 -0.946 . . . . 0.0 109.159 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -95.27 0.38 53.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.191 -0.943 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.29 27.73 47.42 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 120.026 -1.083 . . . . 0.0 110.835 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.01 -22.04 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.805 -1.409 . . . . 0.0 109.161 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 63.7 68.91 0.57 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.523 0.677 . . . . 0.0 109.889 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ASN . 5.4 tp -62.92 -38.34 90.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.613 -0.679 . . . . 0.0 109.782 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' LEU . 46.0 m-80 -34.35 -54.13 0.51 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.254 0.549 . . . . 0.0 110.834 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.96 80.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' LEU . 5.6 tt -60.65 -48.51 81.45 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.019 -1.051 . . . . 0.0 110.315 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -73.84 -39.99 63.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.943 -1.098 . . . . 0.0 109.635 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.1 -18.01 59.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -18.56 61.99 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 N--CA 1.499 1.988 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.374 0.607 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.77 -37.89 89.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.369 -0.832 . . . . 0.0 109.825 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.4 t -56.97 -45.27 83.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.025 -1.047 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -65.66 -39.36 91.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.101 -0.999 . . . . 0.0 109.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -57.44 -51.88 67.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.083 -1.011 . . . . 0.0 110.68 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.03 -40.25 97.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.027 -1.046 . . . . 0.0 109.208 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.21 -43.8 92.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 109.71 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.09 -44.55 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.224 -0.923 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -65.14 -42.59 93.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.044 -1.035 . . . . 0.0 110.308 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' B' ' 15' ' ' SER . 54.8 ttp180 -60.5 -46.55 89.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.96 -43.15 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.703 -0.623 . . . . 0.0 109.895 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -57.76 -45.02 86.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.207 -0.933 . . . . 0.0 109.244 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 83.3 mt -92.84 -0.95 57.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.191 -0.943 . . . . 0.0 108.506 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.426 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 40.8 81.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.844 -0.535 . . . . 0.0 110.992 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.74 140.42 35.04 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.286 -0.884 . . . . 0.0 109.029 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -87.76 134.26 33.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.399 -0.813 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.39 83.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.472 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.56 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 68.1 mttm -62.92 -46.82 86.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.97 -1.081 . . . . 0.0 109.971 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.5 t -65.09 -46.31 81.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.114 -0.991 . . . . 0.0 109.832 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.32 -46.06 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.831 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.73 93.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 110.283 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.42 -45.52 83.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -69.8 -42.61 73.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.315 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 73.3 mmm -65.8 -39.68 91.18 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.506 -0.746 . . . . 0.0 109.459 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.65 9.07 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.12 168.06 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 O-C-N 121.344 -1.092 . . . . 0.0 110.238 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -70.93 154.01 42.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.56 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 76.8 mtm180 -65.02 -37.02 86.27 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 108.912 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.31 -42.15 98.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.959 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.18 -43.03 96.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.03 -43.21 99.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 109.126 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -31.24 72.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.187 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -62.36 -42.37 99.35 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.073 -1.017 . . . . 0.0 110.379 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' B' ' 40' ' ' THR . 95.4 mt -61.29 -70.01 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.467 -0.771 . . . . 0.0 111.968 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -52.77 -28.7 23.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.398 -0.813 . . . . 0.0 110.983 -177.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -1.88 45.43 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.714 -1.241 . . . . 0.0 110.821 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 177.88 155.06 0.34 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.873 -1.142 . . . . 0.0 109.539 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 49.08 94.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.828 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' ILE . 53.0 p -132.6 -12.4 3.03 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.374 -0.828 . . . . 0.0 109.445 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.59 81.2 64.84 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.459 -0.775 . . . . 0.0 109.781 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.24 -179.63 5.62 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.328 2.019 . . . . 0.0 112.289 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.33 -33.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.336 -0.853 . . . . 0.0 109.946 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.84 -46.54 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.045 . . . . 0.0 109.846 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.99 -42.03 93.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.0 109.539 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.23 -40.13 80.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.077 -1.014 . . . . 0.0 109.164 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -61.12 -48.55 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.181 -0.95 . . . . 0.0 109.613 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.9 -45.87 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.95 -1.094 . . . . 0.0 108.937 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.2 75.02 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.222 -0.924 . . . . 0.0 109.321 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -57.34 -44.56 84.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.63 -39.43 93.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.405 ' HA ' ' H ' ' B' ' 57' ' ' ASP . 48.7 ttp180 -60.09 -40.2 88.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.281 -0.887 . . . . 0.0 110.173 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -61.36 -16.35 45.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.142 -0.974 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -93.26 1.25 57.11 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.233 -0.917 . . . . 0.0 110.094 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.52 1.53 57.75 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.67 -41.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.999 -1.295 . . . . 0.0 109.406 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.405 ' H ' ' HA ' ' B' ' 52' ' ' ARG . 83.8 m-20 60.68 87.2 0.09 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.657 0.742 . . . . 0.0 110.328 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 59' ' ' ASN . 2.9 pp -69.38 -37.26 77.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.63 -0.669 . . . . 0.0 110.37 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' B' ' 58' ' ' LEU . 12.8 p-10 -41.57 -53.48 3.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.202 -0.936 . . . . 0.0 110.749 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.81 85.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.132 -0.98 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.0 -47.07 87.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.218 -0.926 . . . . 0.0 108.644 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' B' ' 65' ' ' ILE . 2.3 m-85 -70.07 -32.54 70.68 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.144 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -49.11 -34.57 14.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.34 -41.16 84.04 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' B' ' 62' ' ' PHE . 60.8 mt . . . . . 0 N--CA 1.497 1.894 0 O-C-N 121.451 -0.781 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.476 0.655 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.45 -45.1 94.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.446 -0.784 . . . . 0.0 110.365 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 m -60.44 -36.75 78.96 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.226 -0.921 . . . . 0.0 109.698 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.552 ' OD1' ' NZ ' ' A' ' 8' ' ' LYS . 56.5 t30 -61.8 -45.5 93.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.344 -0.847 . . . . 0.0 109.862 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -70.87 -42.05 70.59 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.157 -0.964 . . . . 0.0 109.678 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.41 -45.0 95.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.838 . . . . 0.0 110.436 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' A' ' 5' ' ' ASN . 9.5 pttm -65.4 -34.15 77.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.0 109.386 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.52 -46.25 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.408 -0.807 . . . . 0.0 109.326 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.55 -45.6 86.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.86 -1.15 . . . . 0.0 109.574 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -59.59 -44.85 93.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 109.571 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.96 -43.34 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.463 -0.773 . . . . 0.0 109.484 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -58.41 -44.71 89.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 109.7 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.7 mt -89.66 -1.49 58.03 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.246 -0.908 . . . . 0.0 109.147 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.2 p 41.55 73.71 0.12 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.646 -0.659 . . . . 0.0 109.65 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -98.9 136.15 39.31 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.327 -0.858 . . . . 0.0 109.822 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -89.03 134.79 33.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.501 -0.75 . . . . 0.0 109.721 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.28 83.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.43 -0.794 . . . . 0.0 109.68 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -62.75 -46.27 88.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.817 . . . . 0.0 109.771 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -60.59 -44.83 95.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.718 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.61 -43.55 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.329 -0.857 . . . . 0.0 109.437 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.47 86.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 110.273 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.29 -38.33 89.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.488 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.5 -51.0 26.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.275 -0.89 . . . . 0.0 109.863 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.68 -39.12 93.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.413 -0.804 . . . . 0.0 109.599 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.2 30.36 7.06 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -126.63 167.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.449 -1.03 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 p -75.12 154.47 37.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 110.356 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -65.52 -39.0 91.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 109.266 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -57.0 -42.11 79.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.01 -40.24 97.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.22 -0.925 . . . . 0.0 109.253 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.96 -42.12 98.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.404 -0.81 . . . . 0.0 109.497 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 99.0 m -60.94 -36.28 78.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.359 -0.838 . . . . 0.0 109.412 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -64.16 -37.0 85.89 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.18 -44.61 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.966 . . . . 0.0 110.096 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.13 -32.7 72.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 108.955 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -82.57 20.23 1.15 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.358 -0.839 . . . . 0.0 109.301 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 40' ' ' THR . 73.7 m -73.02 -7.14 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.261 -0.9 . . . . 0.0 109.099 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 47.94 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.695 -0.628 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 38' ' ' SER . 13.1 t -98.22 136.53 38.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.121 -0.987 . . . . 0.0 109.429 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 152.15 94.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.918 . . . . 0.0 109.979 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.81 160.49 47.77 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.759 2.306 . . . . 0.0 112.754 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 m -59.8 -20.55 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.377 -0.827 . . . . 0.0 109.136 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.11 -45.52 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.344 -0.847 . . . . 0.0 108.982 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.319 -0.863 . . . . 0.0 108.977 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.75 -39.21 93.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.37 -0.831 . . . . 0.0 109.258 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -60.0 -41.21 91.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.219 -0.926 . . . . 0.0 109.168 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.14 -43.15 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.352 -0.842 . . . . 0.0 109.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.42 -34.77 71.16 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.188 -0.945 . . . . 0.0 109.158 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.39 -48.37 81.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.11 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.7 mt -63.69 -41.37 98.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.343 -0.848 . . . . 0.0 109.202 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -43.39 93.23 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 m -60.52 -33.42 72.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.552 -0.717 . . . . 0.0 109.381 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -74.49 3.97 6.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.345 -0.847 . . . . 0.0 109.047 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.77 17.18 79.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.44 134.04 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.251 . . . . 0.0 109.437 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.6 64.37 0.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 109.934 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.11 -32.76 74.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.666 -0.646 . . . . 0.0 109.266 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.27 -42.77 82.22 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.34 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.26 -46.51 90.08 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.091 -1.006 . . . . 0.0 109.65 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.0 -40.05 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.416 -0.802 . . . . 0.0 110.159 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.21 -47.02 54.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.339 -0.851 . . . . 0.0 110.023 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -68.38 -37.81 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.849 -1.157 . . . . 0.0 109.747 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 0.0 109.407 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.383 0.611 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.12 -42.82 96.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.413 -0.804 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.4 t -60.9 -40.69 94.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.327 -0.858 . . . . 0.0 109.858 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . 0.511 ' C ' HD21 ' B' ' 5' ' ' ASN . 0.3 OUTLIER -61.11 -47.29 86.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.222 -0.924 . . . . 0.0 110.034 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 33.1 mm-40 -69.86 -42.07 74.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.97 -42.38 99.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.487 -0.758 . . . . 0.0 109.547 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.476 ' NZ ' HH21 ' B' ' 11' ' ' ARG . 63.7 tttp -62.87 -37.97 89.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 109.828 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.93 -46.65 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 3.5 mp0 -67.76 -39.21 84.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.25 -0.906 . . . . 0.0 109.647 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.476 HH21 ' NZ ' ' B' ' 8' ' ' LYS . 3.5 tmm_? -57.0 -45.03 83.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.178 -0.951 . . . . 0.0 108.69 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.15 -46.33 90.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.249 -0.907 . . . . 0.0 109.761 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 14' ' ' LEU . 3.4 mm? -80.84 -2.72 48.5 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.993 -1.067 . . . . 0.0 108.636 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.429 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.2 m 36.8 57.56 1.15 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.237 0.541 . . . . 0.0 109.72 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.52 147.16 33.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.256 -0.902 . . . . 0.0 110.041 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p -97.62 139.9 32.83 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 110.01 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.59 88.13 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 0.0 110.1 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -62.44 -47.49 83.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.3 -0.875 . . . . 0.0 109.871 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -62.03 -44.09 97.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 109.643 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.02 -43.53 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.393 -0.817 . . . . 0.0 109.449 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.51 92.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 110.352 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -65.93 -40.32 91.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.923 -1.111 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.06 -56.35 10.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.21 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 83.6 mtp -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.408 -0.807 . . . . 0.0 109.404 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.26 36.76 6.48 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -126.28 167.36 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.46 -1.024 . . . . 0.0 110.158 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -73.39 161.94 29.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.404 -0.81 . . . . 0.0 110.296 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -65.02 -39.91 94.07 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -65.04 -38.02 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -62.28 -38.87 90.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 0.0 109.002 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.35 -42.24 99.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.302 -0.874 . . . . 0.0 109.402 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.1 m -60.66 -37.1 80.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -64.56 -36.73 85.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.348 -0.845 . . . . 0.0 109.535 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.01 -43.03 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 108.957 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 38' ' ' SER . 68.0 mt-10 -64.98 -36.31 83.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.543 -0.723 . . . . 0.0 109.251 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.27 36.75 0.1 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.516 ' H ' ' C ' ' B' ' 36' ' ' GLU . 47.8 t -70.14 100.24 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 40' ' ' THR . 65.5 mm-40 -67.38 99.86 0.77 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.195 -0.94 . . . . 0.0 108.79 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' O ' ' B' ' 39' ' ' GLU . 88.0 m 59.68 143.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.34 0.59 . . . . 0.0 109.467 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.4 142.68 89.62 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.307 -0.871 . . . . 0.0 110.381 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.14 161.37 43.36 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.638 2.226 . . . . 0.0 112.952 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.44 -20.39 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.823 . . . . 0.0 109.517 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.39 -45.59 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -43.03 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -60.37 -37.69 81.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.85 -43.17 90.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.959 . . . . 0.0 108.952 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.78 -42.46 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.6 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.437 -0.789 . . . . 0.0 109.065 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -62.17 -48.15 81.34 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' B' ' 51' ' ' LEU . 3.8 mm? -65.09 -42.54 93.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.427 -0.796 . . . . 0.0 109.16 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -66.11 -38.79 89.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.401 -0.812 . . . . 0.0 109.331 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -55.33 -33.86 63.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 0.0 109.83 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -83.44 2.66 35.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.106 -0.997 . . . . 0.0 109.452 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.48 26.79 69.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' B' ' 58' ' ' LEU . 54.4 t -68.19 135.09 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.302 . . . . 0.0 109.479 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -47.52 83.7 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.723 -0.611 . . . . 0.0 110.365 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' B' ' 56' ' ' VAL . 57.3 tp -91.73 -42.65 10.02 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.338 -0.851 . . . . 0.0 109.699 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -54.54 28.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 109.645 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.16 95.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.065 -1.022 . . . . 0.0 109.475 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tp -41.57 -57.9 2.1 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.691 -0.631 . . . . 0.0 110.268 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.69 -44.49 93.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.324 -0.86 . . . . 0.0 109.532 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -44.6 -33.74 1.9 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.503 -0.748 . . . . 0.0 109.927 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -65.09 -42.49 94.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.264 -0.897 . . . . 0.0 109.153 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 0.0 110.27 -179.669 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 4.1 pm0 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.587 0.708 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.53 -38.81 92.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.489 -0.757 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.0 t -57.36 -45.71 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.962 -1.086 . . . . 0.0 109.875 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.03 -40.14 94.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -0.979 . . . . 0.0 109.102 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.51 -39.88 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.302 -0.873 . . . . 0.0 109.186 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.84 -39.9 95.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.377 -0.827 . . . . 0.0 109.089 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -42.73 98.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.551 -0.718 . . . . 0.0 110.045 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.84 -44.98 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.113 -0.992 . . . . 0.0 110.056 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -62.55 -32.36 73.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.106 -0.996 . . . . 0.0 109.482 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -73.58 -41.01 63.46 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.05 -1.031 . . . . 0.0 109.832 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 12' ' ' ILE . 97.5 mt -63.61 -50.48 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.328 -0.858 . . . . 0.0 111.049 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -36.11 82.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.123 -0.986 . . . . 0.0 109.317 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.75 -5.1 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 108.734 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t 42.36 71.7 0.21 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.58 -0.7 . . . . 0.0 109.926 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.3 mt -107.77 128.18 54.35 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.748 . . . . 0.0 109.593 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 82.7 p -87.4 158.35 19.02 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 110.271 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.22 78.34 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.55 -0.719 . . . . 0.0 109.5 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -65.91 -43.49 88.02 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.43 -0.793 . . . . 0.0 110.327 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.425 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 78.0 p -61.69 -44.48 96.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -0.888 . . . . 0.0 110.224 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.52 -44.71 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.98 . . . . 0.0 109.377 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.14 84.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.752 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.77 -54.23 47.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.258 -0.902 . . . . 0.0 108.987 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.14 -44.03 73.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.251 -0.905 . . . . 0.0 109.842 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.73 -39.65 94.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 0.0 109.146 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.31 32.4 22.83 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 pt -123.29 168.53 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.559 -0.965 . . . . 0.0 109.976 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 m -71.57 152.65 42.76 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.858 0.837 . . . . 0.0 110.166 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -64.79 -37.15 86.63 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.317 -0.864 . . . . 0.0 109.28 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.69 -45.27 94.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 108.893 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.84 -42.81 99.5 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.453 0.644 . . . . 0.0 109.408 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.11 -31.58 72.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.267 -0.896 . . . . 0.0 109.161 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -61.35 -45.95 92.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 109.618 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.407 HG22 HD13 ' A' ' 35' ' ' ILE . 97.6 mt -66.71 -43.67 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.123 -0.985 . . . . 0.0 109.725 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -67.31 -36.82 82.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.384 -0.823 . . . . 0.0 109.994 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -78.44 12.54 1.92 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.917 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -97.24 119.82 36.45 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -92.25 -11.06 36.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.285 -0.885 . . . . 0.0 109.75 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -124.36 131.76 53.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.622 -0.674 . . . . 0.0 109.33 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.17 146.93 68.29 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.405 -0.81 . . . . 0.0 109.84 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.46 158.46 51.15 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.661 2.241 . . . . 0.0 112.917 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 p -67.25 -37.25 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.444 -0.785 . . . . 0.0 109.958 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 2.8 m -46.39 -42.4 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.27 -0.894 . . . . 0.0 109.465 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 53.1 t -65.52 -43.81 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 108.849 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.78 -38.25 87.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 0.0 109.119 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.531 ' OH ' ' NH2' ' B' ' 11' ' ' ARG . 23.1 t80 -60.35 -41.59 93.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.399 -0.813 . . . . 0.0 109.419 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.414 HD11 HG23 ' A' ' 48' ' ' ILE . 91.1 mt -62.16 -43.45 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 0.0 108.844 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.86 77.16 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.38 -0.825 . . . . 0.0 109.358 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -60.39 -48.42 81.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.178 -0.951 . . . . 0.0 109.401 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.1 -42.18 94.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.202 -0.936 . . . . 0.0 109.505 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.9 -34.58 78.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.36 -0.837 . . . . 0.0 108.965 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -59.01 -21.59 59.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -93.0 1.07 57.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.0 108.87 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.14 24.75 54.05 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.41 134.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.271 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.77 53.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.62 -0.675 . . . . 0.0 109.754 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.69 -10.7 59.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.313 -0.867 . . . . 0.0 108.778 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.7 -31.69 73.02 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.513 -0.742 . . . . 0.0 109.183 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.35 88.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.995 -1.065 . . . . 0.0 109.457 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.9 -39.7 93.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.0 108.843 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.28 -50.24 48.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -50.72 -40.81 55.2 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -61.03 -49.79 75.97 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.601 -0.687 . . . . 0.0 109.396 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 65' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.162 -0.961 . . . . 0.0 110.839 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 56.3 mt-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.23 -44.09 97.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.681 -0.637 . . . . 0.0 109.305 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t -66.18 -26.78 67.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.799 . . . . 0.0 109.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.73 -46.23 89.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.84 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 3.2 mp0 -70.09 -36.37 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.154 -0.966 . . . . 0.0 109.262 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.69 -42.11 99.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 108.939 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.37 -40.85 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.37 -44.45 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 109.528 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -55.34 -44.66 76.11 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.168 -0.958 . . . . 0.0 109.803 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' A' ' 47' ' ' TYR . 32.5 ttm105 -58.61 -44.94 90.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 109.303 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.405 HG22 HD11 ' B' ' 12' ' ' ILE . 97.9 mt -66.5 -42.59 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.4 -0.812 . . . . 0.0 109.447 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -44.37 84.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 109.358 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 15' ' ' SER . 92.7 mt -93.73 -3.14 52.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 11' ' ' ARG . 2.9 t 41.13 78.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.352 0.596 . . . . 0.0 110.096 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.95 133.14 52.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.465 -0.772 . . . . 0.0 109.647 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.62 ' HG1' ' H ' ' B' ' 20' ' ' SER . 82.1 p -84.8 159.54 20.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.528 -0.733 . . . . 0.0 110.159 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.98 78.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.567 -0.708 . . . . 0.0 109.497 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -67.64 -43.43 80.34 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.286 -0.883 . . . . 0.0 109.947 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.62 ' H ' ' HG1' ' B' ' 17' ' ' THR . 68.9 m -64.83 -47.07 79.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.856 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.6 -44.11 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 110.026 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.75 98.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.434 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OE2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -66.32 -46.2 77.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.126 -0.984 . . . . 0.0 109.754 -179.444 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.439 ' OE2' ' OE1' ' B' ' 23' ' ' GLU . 75.5 mm-40 -69.8 -39.5 76.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 109.293 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -64.2 -38.28 90.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -0.849 . . . . 0.0 109.346 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.21 24.02 15.63 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.23 164.93 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.499 -1.001 . . . . 0.0 109.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.493 ' HG ' ' H ' ' B' ' 31' ' ' GLN . 19.4 p -75.46 161.28 29.34 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.83 0.824 . . . . 0.0 110.538 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.13 -38.54 90.97 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.176 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.87 -38.44 90.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.374 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.493 ' H ' ' HG ' ' B' ' 28' ' ' SER . 59.6 tt0 -61.69 -41.33 97.42 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 109.114 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.32 -43.09 98.79 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.0 109.602 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.66 -34.79 74.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.0 109.51 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -62.73 -39.91 95.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 109.09 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.62 -43.82 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.495 ' OE1' ' NH1' ' B' ' 11' ' ' ARG . 1.8 mt-10 -70.06 -18.49 63.28 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.96 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -85.23 -2.44 58.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 108.994 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -72.09 144.65 48.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -80.64 -80.33 0.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -99.87 172.77 7.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.404 -0.81 . . . . 0.0 109.864 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.19 149.13 40.79 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.788 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.9 154.1 71.53 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.576 2.184 . . . . 0.0 112.973 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.69 -29.79 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.573 -0.704 . . . . 0.0 110.302 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.8 p -44.98 -35.92 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.318 -0.864 . . . . 0.0 109.353 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.41 -43.17 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.479 -0.763 . . . . 0.0 109.09 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.75 -40.82 96.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -0.866 . . . . 0.0 109.646 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.96 -44.4 97.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.15 -0.969 . . . . 0.0 109.763 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.36 -42.97 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.128 -0.982 . . . . 0.0 108.721 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . 0.505 ' CB ' HH21 ' B' ' 52' ' ' ARG . . . -60.9 -35.48 76.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 0.0 109.341 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.74 -46.63 89.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.312 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.77 -41.87 99.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.942 -1.099 . . . . 0.0 109.141 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.505 HH21 ' CB ' ' B' ' 49' ' ' ALA . 2.0 tmm_? -62.69 -40.32 96.76 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.383 -0.823 . . . . 0.0 109.837 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 29.5 m -58.34 -22.58 53.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.067 -1.02 . . . . 0.0 109.508 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -86.01 3.36 42.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 108.958 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.66 19.57 67.98 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.564 ' C ' ' H ' ' B' ' 58' ' ' LEU . 47.4 t -60.89 146.66 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -1.158 . . . . 0.0 110.183 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.01 37.87 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.686 -0.634 . . . . 0.0 109.802 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' B' ' 56' ' ' VAL . 11.5 tp -63.15 -39.77 95.64 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.381 -0.824 . . . . 0.0 109.273 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.21 -42.05 94.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.149 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.46 83.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.421 -0.8 . . . . 0.0 110.365 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.17 -42.78 95.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.167 -0.958 . . . . 0.0 109.897 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -64.63 -43.6 93.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.908 -1.12 . . . . 0.0 109.669 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -49.83 -39.46 38.79 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.943 -1.098 . . . . 0.0 109.237 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -65.94 -48.4 71.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.164 -0.96 . . . . 0.0 109.009 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.417 HD12 HG22 ' B' ' 65' ' ' ILE . 96.9 mt . . . . . 0 N--CA 1.497 1.879 0 O-C-N 121.618 -0.676 . . . . 0.0 110.684 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.68 -44.81 95.3 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -71.67 -20.4 61.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.77 . . . . 0.0 109.933 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -62.62 -50.72 70.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.144 -0.973 . . . . 0.0 109.803 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.58 -32.2 65.83 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.372 -0.83 . . . . 0.0 108.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 tt -58.49 -47.41 84.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.534 -0.728 . . . . 0.0 109.254 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 56.8 mtpt -63.6 -40.76 97.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 108.862 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.513 ' CG1' ' HE ' ' A' ' 13' ' ' ARG . 83.2 t -61.41 -45.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.649 -0.657 . . . . 0.0 109.901 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.53 -42.37 87.61 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.853 -1.154 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.499 HH11 ' CD ' ' A' ' 36' ' ' GLU . 64.5 ttt180 -60.7 -43.39 97.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.937 . . . . 0.0 109.127 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.01 -44.23 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.762 -0.586 . . . . 0.0 110.055 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.513 ' HE ' ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -62.38 -42.93 99.8 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.09 -1.006 . . . . 0.0 108.875 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.2 mt -87.53 -5.61 58.71 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ARG . 60.5 p 38.81 66.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.32 0.581 . . . . 0.0 109.878 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.9 154.31 29.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.466 -0.771 . . . . 0.0 109.939 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.455 ' H ' ' HG1' ' A' ' 17' ' ' THR . 12.6 p -79.04 130.88 35.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.551 -0.718 . . . . 0.0 110.135 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.26 82.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.571 -0.706 . . . . 0.0 109.846 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.01 -45.08 95.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.0 109.856 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -60.05 -45.94 91.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.149 -0.969 . . . . 0.0 109.607 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.09 -47.6 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.321 -0.862 . . . . 0.0 110.339 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.28 86.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.289 -0.882 . . . . 0.0 111.072 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.04 -48.0 69.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.941 -1.1 . . . . 0.0 110.346 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.95 -37.57 75.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.166 -0.959 . . . . 0.0 109.9 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 55.5 mmm -62.82 -38.19 89.77 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.402 -0.811 . . . . 0.0 109.421 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.27 26.32 16.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.1 pt -125.84 161.79 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.657 -0.908 . . . . 0.0 109.54 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 t -76.8 159.61 29.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.453 -0.779 . . . . 0.0 110.333 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -62.34 -34.14 76.07 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.447 -0.783 . . . . 0.0 109.274 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.41 -44.79 76.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.21 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.89 -37.31 84.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.875 . . . . 0.0 108.976 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.07 -42.43 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.785 . . . . 0.0 109.315 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.53 -35.81 80.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 108.957 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.85 -36.91 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.104 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.54 -43.46 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.144 -0.972 . . . . 0.0 108.695 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.52 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 28.7 mm-40 -56.56 -34.11 66.78 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 38' ' ' SER . 55.9 tp60 -80.12 39.53 0.45 Allowed 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 36' ' ' GLU . 9.6 p -36.99 144.33 0.07 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.561 0.696 . . . . 0.0 111.029 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 40' ' ' THR . 82.9 tt0 -140.36 86.03 2.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.625 -0.672 . . . . 0.0 109.273 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 39' ' ' GLU . 5.5 m 59.93 131.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.51 0.672 . . . . 0.0 109.76 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 151.02 93.3 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.214 -0.929 . . . . 0.0 109.704 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.07 149.81 59.17 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.357 2.038 . . . . 0.0 112.55 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -69.19 -17.24 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.576 -0.703 . . . . 0.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 3.3 m -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.153 -0.967 . . . . 0.0 109.2 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 73.0 t -62.44 -43.72 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.826 . . . . 0.0 109.054 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.27 -40.57 94.61 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.503 -0.748 . . . . 0.0 109.142 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -60.63 -40.89 93.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.4 -44.08 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 0.0 109.295 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.35 83.35 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.072 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.425 ' O ' ' OG ' ' A' ' 53' ' ' SER . 37.5 t80 -60.39 -45.65 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.441 -0.787 . . . . 0.0 109.841 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.3 -42.5 99.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.895 . . . . 0.0 109.319 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -64.8 -19.91 66.09 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 5.7 p -62.95 -36.08 82.27 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.249 -0.907 . . . . 0.0 108.695 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.08 -6.24 42.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.332 -0.855 . . . . 0.0 109.648 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 47.04 5.53 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.035 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.14 -20.51 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.25 . . . . 0.0 109.068 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 76.97 69.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.526 0.679 . . . . 0.0 109.757 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.474 ' H ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 pt? -79.13 -6.06 55.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.53 -0.731 . . . . 0.0 109.224 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -60.99 -45.34 95.21 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.399 -0.813 . . . . 0.0 109.652 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.57 -37.31 79.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.387 -0.821 . . . . 0.0 109.821 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.51 -47.76 84.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.146 -0.971 . . . . 0.0 109.642 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -70.97 -35.43 72.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.925 . . . . 0.0 109.798 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -54.84 -45.71 74.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.209 -0.932 . . . . 0.0 110.394 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.43 -43.81 96.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.87 -1.144 . . . . 0.0 109.278 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.376 -0.828 . . . . 0.0 109.912 -179.792 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.422 0.63 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.04 -49.05 77.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.448 -0.782 . . . . 0.0 110.118 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -67.18 -42.57 84.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.569 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.1 -45.92 86.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.512 -0.743 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.421 ' O ' ' OE2' ' B' ' 10' ' ' GLU . 19.4 tt0 -66.95 -33.29 75.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.094 -1.004 . . . . 0.0 109.171 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.16 -44.36 97.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.468 -0.77 . . . . 0.0 109.273 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.86 -36.49 83.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 108.998 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.82 -45.21 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.59 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' B' ' 6' ' ' GLU . 1.1 mp0 -58.25 -40.5 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.967 -1.083 . . . . 0.0 109.196 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' SER . 25.4 ttp180 -58.53 -45.47 88.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.239 -0.913 . . . . 0.0 109.031 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.38 -42.83 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.847 -0.533 . . . . 0.0 109.896 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -58.87 -44.26 91.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 109.674 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.69 -3.37 46.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.93 . . . . 0.0 108.687 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' ARG . 12.5 t 41.51 77.05 0.06 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.763 -0.586 . . . . 0.0 110.081 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.95 159.18 22.32 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.501 ' H ' ' HG1' ' B' ' 17' ' ' THR . 6.2 p -99.05 133.07 43.85 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.437 0.637 . . . . 0.0 109.717 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.47 86.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.473 -0.767 . . . . 0.0 109.681 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -63.12 -46.04 89.16 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.126 -0.983 . . . . 0.0 110.003 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -64.05 -49.33 72.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.974 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 92.8 t -67.17 -45.84 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.328 -0.858 . . . . 0.0 110.29 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.82 81.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.34 -0.85 . . . . 0.0 110.234 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.82 -42.7 85.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -0.996 . . . . 0.0 110.203 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -71.09 -43.01 68.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.157 -0.965 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 92.2 mtp -66.04 -39.18 89.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.948 -1.095 . . . . 0.0 109.555 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.33 27.94 7.43 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.21 161.83 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.411 -1.053 . . . . 0.0 109.356 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.2 t -73.77 156.7 37.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.536 -0.728 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -63.56 -37.9 89.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.401 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -56.2 -42.31 76.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.406 -0.809 . . . . 0.0 109.019 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -67.19 -39.39 86.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.335 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.25 -43.91 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.154 -0.966 . . . . 0.0 109.213 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -66.18 -33.1 74.99 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 108.804 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.26 -37.78 86.76 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.37 -43.84 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -65.34 -23.63 67.05 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.79 -0.09 57.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.378 -0.826 . . . . 0.0 108.99 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.9 t -56.35 141.5 41.59 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.848 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -110.29 -52.09 2.81 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.612 -0.68 . . . . 0.0 109.951 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 98.6 m -118.03 131.81 56.43 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.5 -0.75 . . . . 0.0 109.364 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.97 152.92 80.08 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.28 151.68 71.82 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.627 2.218 . . . . 0.0 112.516 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.96 -12.37 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.624 -0.672 . . . . 0.0 109.861 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.1 t -59.17 -42.86 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.0 109.443 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.27 -46.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.153 -0.967 . . . . 0.0 109.066 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.59 -39.06 93.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.14 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -43.27 91.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.82 -43.08 96.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.9 73.76 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.483 -0.76 . . . . 0.0 109.195 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.632 ' CZ ' ' NZ ' ' B' ' 54' ' ' LYS . 6.5 t80 -70.34 -28.32 65.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.814 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.417 ' O ' ' CG2' ' B' ' 56' ' ' VAL . 96.9 mt -73.36 -50.69 20.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.728 -1.233 . . . . 0.0 110.189 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -67.11 -21.57 65.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 109.038 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.8 m -59.26 -33.44 71.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.633 -0.667 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' B' ' 50' ' ' PHE . 14.6 mptt -91.32 7.52 40.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.376 -0.827 . . . . 0.0 109.4 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.26 19.72 56.51 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' B' ' 58' ' ' LEU . 60.1 t -59.81 147.32 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -1.149 . . . . 0.0 109.235 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.07 47.82 0.11 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -62.16 -40.68 96.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.496 -0.752 . . . . 0.0 109.116 -179.351 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -59.96 -40.27 88.47 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.77 81.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.552 -0.717 . . . . 0.0 109.57 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.08 -49.18 78.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.207 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -70.83 -35.46 72.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.11 -0.993 . . . . 0.0 109.617 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.68 -43.34 57.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -60.94 -35.36 76.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.961 -1.087 . . . . 0.0 108.673 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.407 HD11 HG23 ' B' ' 65' ' ' ILE . 96.1 mt . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.863 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 121.699 0.761 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.9 -40.56 96.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.663 -0.648 . . . . 0.0 110.16 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -44.75 -55.79 5.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.397 -0.814 . . . . 0.0 110.213 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.56 -40.5 92.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.385 -0.822 . . . . 0.0 110.111 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.77 -48.46 79.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 109.866 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.92 -40.82 98.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 108.654 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.91 -39.19 91.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.44 -0.787 . . . . 0.0 109.328 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.4 -47.24 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.334 -0.854 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -66.31 -37.23 84.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.143 -0.973 . . . . 0.0 108.748 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.4 ttt180 -61.57 -45.93 92.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.589 -0.694 . . . . 0.0 109.658 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.573 -0.704 . . . . 0.0 109.837 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -65.77 -43.2 89.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.319 -0.863 . . . . 0.0 109.407 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.0 mt -90.12 0.8 56.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.308 -0.87 . . . . 0.0 108.932 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' ARG . 24.5 p 35.47 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.493 0.663 . . . . 0.0 110.533 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -109.15 136.66 48.27 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.524 -0.735 . . . . 0.0 109.121 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -88.06 138.97 30.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.449 -0.782 . . . . 0.0 110.48 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.34 90.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.8 -0.562 . . . . 0.0 109.805 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.33 -46.13 88.04 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.074 -1.016 . . . . 0.0 109.599 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -64.81 -46.81 80.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.73 -43.81 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -0.836 . . . . 0.0 109.665 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.11 76.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.496 -0.753 . . . . 0.0 110.148 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -68.79 -35.97 77.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.25 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -46.78 69.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.957 -1.089 . . . . 0.0 109.11 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.9 mtp -63.69 -39.18 93.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.601 -0.687 . . . . 0.0 109.409 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.02 7.12 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -125.68 162.8 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.478 -1.013 . . . . 0.0 109.66 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -71.26 151.82 43.89 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.643 0.735 . . . . 0.0 109.844 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 1.9 ttp180 -60.89 -40.57 93.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.741 -0.6 . . . . 0.0 109.758 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -40.23 72.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.0 109.101 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.62 -46.51 78.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.361 -0.837 . . . . 0.0 109.399 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.4 -39.14 91.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.635 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.67 -41.37 81.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.87 . . . . 0.0 109.795 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -63.54 -43.15 97.93 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.194 -0.941 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.45 -44.09 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 109.393 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.53 -31.97 73.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.584 -0.698 . . . . 0.0 110.118 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 38' ' ' SER . 84.9 mt-30 -84.93 -4.68 59.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.997 -1.065 . . . . 0.0 109.736 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 1.4 m 163.11 115.49 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.17 120.19 41.47 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.745 0.783 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.0 p -83.05 166.7 18.54 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.211 -0.931 . . . . 0.0 109.708 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.1 109.06 60.8 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 121.424 -0.798 . . . . 0.0 109.213 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.68 163.24 29.35 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.219 1.946 . . . . 0.0 112.908 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.4 m -62.04 -19.18 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.477 -0.764 . . . . 0.0 109.849 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.44 -43.64 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.992 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.54 -42.65 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.801 . . . . 0.0 109.238 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.71 -42.5 88.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.112 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -47.94 84.08 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -44.05 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.442 -0.786 . . . . 0.0 109.619 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.31 99.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CZ ' ' OE2' ' B' ' 24' ' ' GLU . 46.8 t80 -62.37 -46.35 89.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.497 -0.752 . . . . 0.0 109.743 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.68 -41.32 98.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.195 -0.941 . . . . 0.0 109.356 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -64.62 -36.58 84.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.406 -0.809 . . . . 0.0 109.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 90.8 p -59.53 -21.99 61.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 109.443 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.5 -1.61 55.4 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.26 -0.9 . . . . 0.0 109.352 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.24 24.67 58.85 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.15 -19.66 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.104 -1.233 . . . . 0.0 108.904 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 63.9 83.46 0.16 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.613 0.721 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 3.7 mm? -84.47 -4.43 58.93 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 p30 -61.41 -45.0 96.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.52 -0.737 . . . . 0.0 109.184 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -66.57 -44.81 81.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.0 109.737 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.27 -46.34 87.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.232 -0.918 . . . . 0.0 109.874 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.92 -31.52 68.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.355 -0.84 . . . . 0.0 109.439 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -37.27 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 109.072 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.5 -36.36 82.28 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.4 mm . . . . . 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 109.237 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.637 0.732 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.63 -40.29 96.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.689 . . . . 0.0 109.671 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.3 t -59.24 -47.33 85.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 110.154 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -68.88 -42.22 77.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.189 -0.945 . . . . 0.0 109.782 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.443 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 42.1 mt-10 -65.75 -42.73 90.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.746 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.16 -41.57 98.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.478 -0.764 . . . . 0.0 109.196 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -62.5 -36.73 83.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 0.0 109.636 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.73 -47.12 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 109.705 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 1.7 mp0 -64.27 -38.68 91.92 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.037 -1.04 . . . . 0.0 108.806 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.56 -49.07 76.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.539 -0.726 . . . . 0.0 109.432 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.15 -43.87 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.519 -0.738 . . . . 0.0 109.472 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -60.63 -43.63 97.29 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' B' ' 15' ' ' SER . 88.1 mt -84.58 -4.14 58.82 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.423 ' C ' ' O ' ' B' ' 14' ' ' LEU . 34.8 t 38.19 74.78 0.08 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.802 -0.561 . . . . 0.0 110.376 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -101.61 134.21 45.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.282 -0.886 . . . . 0.0 109.53 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -70.72 136.45 48.97 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.637 0.732 . . . . 0.0 110.364 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.07 84.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.704 -0.623 . . . . 0.0 109.722 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.75 -46.01 91.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.771 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.64 -44.65 95.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.34 -22.7 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.374 -0.829 . . . . 0.0 109.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.34 -30.86 27.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.006 -1.059 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -68.46 -45.11 73.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.568 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.542 ' OE2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.4 -44.44 67.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.285 -0.884 . . . . 0.0 109.659 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 80.5 mtp -68.29 -36.28 79.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 109.49 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.1 48.04 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 pt -117.27 -174.44 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.505 -0.997 . . . . 0.0 109.359 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.641 ' HG ' ' N ' ' B' ' 29' ' ' ARG . 10.1 t -96.6 165.0 12.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.483 -0.761 . . . . 0.0 110.286 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.641 ' N ' ' HG ' ' B' ' 28' ' ' SER . 78.9 mtm180 -63.95 -37.13 86.29 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.419 0.628 . . . . 0.0 109.367 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -57.37 -43.99 84.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 109.331 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -65.54 -43.71 89.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.74 -42.18 95.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.856 . . . . 0.0 109.173 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -33.23 75.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.438 -0.789 . . . . 0.0 109.882 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.72 -41.05 94.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.17 -0.956 . . . . 0.0 109.569 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.91 -43.71 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.558 ' C ' ' H ' ' B' ' 38' ' ' SER . 0.6 OUTLIER -64.19 -30.3 71.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.459 -0.775 . . . . 0.0 109.795 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -73.37 31.84 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.07 -1.019 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.558 ' H ' ' C ' ' B' ' 36' ' ' GLU . 2.0 m 57.83 81.19 0.15 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.629 -0.67 . . . . 0.0 111.034 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' B' ' 40' ' ' THR . 4.3 tm-20 -100.5 -14.45 18.24 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER 80.74 170.02 0.14 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.215 0.531 . . . . 0.0 110.092 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.77 148.47 39.99 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 0.0 109.895 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.18 160.93 41.7 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.893 2.395 . . . . 0.0 112.611 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 m -65.21 -19.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.388 -0.82 . . . . 0.0 109.714 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.07 -42.42 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.263 -0.898 . . . . 0.0 108.666 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -43.43 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 108.878 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -62.36 -37.01 84.02 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.193 -0.942 . . . . 0.0 109.806 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -60.29 -52.51 64.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.048 -1.033 . . . . 0.0 110.338 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 pt -63.86 -27.46 42.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.086 -1.009 . . . . 0.0 108.49 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.22 93.36 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.437 ' O ' ' OG ' ' B' ' 53' ' ' SER . 59.3 t80 -59.12 -45.04 91.95 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.99 -38.2 90.22 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.48 -21.07 65.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.269 -0.894 . . . . 0.0 109.056 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 63.4 p -58.44 -33.25 69.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.159 -0.963 . . . . 0.0 108.453 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -91.54 -0.31 57.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.74 29.38 35.46 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' B' ' 58' ' ' LEU . 83.4 t -63.38 123.79 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.322 . . . . 0.0 109.117 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.08 68.28 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.528 -0.733 . . . . 0.0 110.426 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.7 tp -65.53 -38.47 89.74 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.4 OUTLIER -45.8 -40.68 9.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.532 -0.73 . . . . 0.0 109.287 -179.364 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.11 83.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.501 -0.749 . . . . 0.0 109.93 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.07 -43.64 98.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.346 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.61 -40.91 84.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -66.53 -19.21 65.73 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.3 -0.875 . . . . 0.0 109.639 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -89.68 -23.07 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.202 -0.936 . . . . 0.0 109.866 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.136 -0.977 . . . . 0.0 110.46 -179.568 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.635 0.731 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.4 -39.87 95.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.499 -0.75 . . . . 0.0 110.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 p -57.97 -41.04 82.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.026 -1.046 . . . . 0.0 110.292 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.479 ' C ' HD21 ' A' ' 5' ' ' ASN . 0.1 OUTLIER -64.57 -46.9 80.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.029 -1.044 . . . . 0.0 109.835 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.23 -37.16 77.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.86 . . . . 0.0 109.168 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.39 -41.91 98.78 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.309 -0.869 . . . . 0.0 109.391 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.5 -41.66 98.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.961 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.08 -44.45 98.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.79 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -58.74 -41.77 87.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.545 HH22 ' CD ' ' A' ' 36' ' ' GLU . 36.7 ttm180 -56.58 -46.58 80.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 0.0 108.723 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.16 -42.72 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.655 -0.653 . . . . 0.0 109.412 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.1 ttm-85 -55.39 -44.97 76.62 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 0.0 110.011 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -102.78 2.51 35.68 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 108.874 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 11' ' ' ARG . 16.2 m 42.19 82.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 mp -106.17 153.43 22.12 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 121.597 0.713 . . . . 0.0 109.804 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 45.9 p -112.35 144.16 42.24 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.459 0.647 . . . . 0.0 109.81 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.42 87.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.463 -0.773 . . . . 0.0 109.633 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -63.4 -44.31 95.05 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.003 -1.06 . . . . 0.0 109.816 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 71.5 m -62.18 -47.39 84.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.185 -0.947 . . . . 0.0 109.929 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.04 -43.76 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.925 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.77 95.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.401 -0.812 . . . . 0.0 110.499 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -68.24 -40.29 82.05 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.008 -1.058 . . . . 0.0 109.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -72.97 -43.31 62.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 109.943 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.9 mmm -64.84 -39.15 93.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 109.966 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.83 23.13 14.06 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -124.73 162.85 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.225 0 O-C-N 121.44 -1.035 . . . . 0.0 109.928 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.4 p -79.07 166.29 22.46 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 110.008 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.48 -35.66 81.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.466 -0.771 . . . . 0.0 108.935 179.411 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.64 -45.47 77.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.262 -0.899 . . . . 0.0 109.459 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -64.01 -43.25 96.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.347 -0.846 . . . . 0.0 109.071 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.49 -39.84 95.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.422 -0.799 . . . . 0.0 108.977 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.41 74.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 109.82 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -61.89 -41.07 97.46 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.317 -0.864 . . . . 0.0 109.139 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.1 -44.33 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.313 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.545 ' CD ' HH22 ' A' ' 11' ' ' ARG . 69.8 tt0 -69.48 -13.01 62.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.0 108.552 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -72.02 38.37 0.07 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.861 -1.149 . . . . 0.0 109.381 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.535 ' H ' ' C ' ' A' ' 36' ' ' GLU . 47.1 t 48.45 -105.42 0.15 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.451 -0.781 . . . . 0.0 110.887 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 38' ' ' SER . 64.3 mm-40 59.17 142.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.879 0.847 . . . . 0.0 110.086 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -62.56 139.55 58.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.59 0.71 . . . . 0.0 110.069 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.32 93.29 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.533 -0.73 . . . . 0.0 110.024 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.53 154.79 72.15 Favored 'Trans proline' 0 N--CA 1.502 1.996 0 C-N-CA 123.023 2.482 . . . . 0.0 113.183 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.36 -23.44 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 110.125 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 3.1 m -58.64 -40.43 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.904 -1.123 . . . . 0.0 108.975 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 51.7 t -63.06 -44.26 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.409 -0.807 . . . . 0.0 109.212 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -61.62 -41.23 97.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.377 -0.827 . . . . 0.0 108.807 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -44.29 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 108.813 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HG22 ' A' ' 48' ' ' ILE . 93.4 mt -62.81 -42.84 97.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.425 -0.797 . . . . 0.0 109.038 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.68 68.15 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.21 -0.931 . . . . 0.0 109.587 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 6.3 t80 -62.32 -45.7 92.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 108.97 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.69 -36.71 81.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.245 -0.91 . . . . 0.0 109.281 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.81 -40.57 88.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.6 m -55.17 -30.42 59.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.538 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 14.6 mptt -83.13 2.6 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.279 -0.888 . . . . 0.0 109.014 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.09 24.78 60.9 Favored Glycine 0 N--CA 1.492 2.404 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.64 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.66 135.33 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.788 -1.419 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 1.2 p30 -76.85 93.71 3.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 0.0 110.075 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.25 -12.83 51.59 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 32.9 p-10 -63.44 -45.61 90.09 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -0.828 . . . . 0.0 110.116 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -70.72 -40.63 72.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.123 -0.986 . . . . 0.0 110.249 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.36 -48.39 80.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.908 . . . . 0.0 109.816 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.18 -35.59 74.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.36 -0.838 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.6 -48.53 80.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.951 -1.093 . . . . 0.0 111.645 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -62.61 -41.95 99.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.595 -1.316 . . . . 0.0 110.153 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.3 -1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.157 -179.215 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 28.0 tt0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.264 0.554 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 2' ' ' GLU . 47.7 tp -60.3 -44.7 95.18 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.455 -0.778 . . . . 0.0 110.293 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t -61.29 -34.61 75.49 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -61.45 -43.86 98.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 111.387 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 26.1 mp0 -69.77 -43.24 72.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.712 -1.243 . . . . 0.0 110.254 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.96 -39.71 93.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.958 -1.089 . . . . 0.0 109.032 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.95 -45.11 95.09 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.104 -0.998 . . . . 0.0 109.794 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.0 -45.88 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.23 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.595 ' CD ' HH21 ' B' ' 13' ' ' ARG . 74.4 mm-40 -62.58 -37.6 86.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 109.308 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' B' ' 15' ' ' SER . 8.9 ttt180 -60.69 -42.71 97.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.83 -44.49 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.486 -0.759 . . . . 0.0 109.519 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.595 HH21 ' CD ' ' B' ' 10' ' ' GLU . 56.3 mtm180 -65.13 -40.46 94.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.415 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 15' ' ' SER . 86.3 mt -89.59 -5.8 56.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 11' ' ' ARG . 60.1 p 38.97 61.13 1.31 Allowed 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.145 0.498 . . . . 0.0 109.859 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.8 mt -104.32 125.25 50.4 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.486 -0.758 . . . . 0.0 109.526 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.489 ' H ' ' HG1' ' B' ' 17' ' ' THR . 11.5 p -87.64 162.91 16.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.353 -0.842 . . . . 0.0 110.528 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.98 81.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.688 -0.632 . . . . 0.0 109.506 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.97 -44.87 95.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.068 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.9 t -61.63 -48.03 82.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -0.966 . . . . 0.0 110.221 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.07 -43.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.7 -30.28 70.65 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.352 -0.842 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.054 -1.029 . . . . 0.0 108.876 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.23 -46.65 17.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 109.534 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -65.0 -39.58 93.67 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.596 -0.69 . . . . 0.0 109.485 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.43 31.84 26.67 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.61 168.21 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.465 -1.021 . . . . 0.0 109.863 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -68.98 152.77 44.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -63.96 -39.23 93.67 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -40.43 91.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.505 -0.747 . . . . 0.0 109.77 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -58.36 -41.98 85.91 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.266 -0.896 . . . . 0.0 109.391 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.2 -41.52 99.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.195 -0.941 . . . . 0.0 108.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.44 -33.68 74.13 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.37 -0.831 . . . . 0.0 109.182 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.65 -38.54 90.7 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.422 -0.799 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.59 -44.15 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.188 -0.945 . . . . 0.0 108.936 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.52 -30.61 64.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -93.81 12.57 25.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.226 -0.921 . . . . 0.0 109.565 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -68.77 155.4 40.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.481 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.428 ' C ' ' HG1' ' B' ' 40' ' ' THR . 3.5 pt-20 -69.28 -37.47 77.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.518 -0.739 . . . . 0.0 109.908 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.428 ' HG1' ' C ' ' B' ' 39' ' ' GLU . 86.0 m -166.52 166.9 16.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.988 -1.07 . . . . 0.0 109.577 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' B' ' 40' ' ' THR . . . -84.8 153.33 60.68 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 109.407 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.95 155.32 64.94 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.775 2.317 . . . . 0.0 112.793 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.21 -27.14 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.408 -0.808 . . . . 0.0 110.382 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' B' ' 45' ' ' VAL . 9.7 p -53.98 -37.11 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.065 -1.022 . . . . 0.0 109.103 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' B' ' 44' ' ' VAL . 69.4 t -64.08 -44.33 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.338 -0.851 . . . . 0.0 108.952 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.35 -38.03 87.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.302 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -59.15 -48.56 81.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.0 108.796 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.15 -42.06 94.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -37.28 67.47 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.436 -0.79 . . . . 0.0 109.027 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.57 -45.1 95.18 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.4 -41.44 98.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.604 -0.685 . . . . 0.0 109.316 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.404 HH21 ' HA2' ' B' ' 55' ' ' GLY . 0.8 OUTLIER -66.92 -25.88 66.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.046 -1.034 . . . . 0.0 109.087 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -63.91 -23.16 67.24 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.057 -1.027 . . . . 0.0 109.146 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.77 2.11 56.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.028 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . 0.404 ' HA2' HH21 ' B' ' 52' ' ' ARG . . . 86.02 25.92 36.0 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.9 t -68.6 129.99 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.787 -1.419 . . . . 0.0 109.089 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -58.25 100.15 0.06 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.411 -0.805 . . . . 0.0 111.07 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -15.88 28.19 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.567 ' OD1' ' N ' ' B' ' 60' ' ' ALA . 31.9 p30 -66.03 -39.78 90.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.274 -0.891 . . . . 0.0 110.498 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.567 ' N ' ' OD1' ' B' ' 59' ' ' ASN . . . -83.36 -31.58 26.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.129 -0.982 . . . . 0.0 109.833 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.7 -44.08 97.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.111 -0.993 . . . . 0.0 109.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.84 -33.14 24.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.356 -0.84 . . . . 0.0 110.967 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.56 -42.7 99.23 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.864 -1.148 . . . . 0.0 110.377 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -62.12 -40.88 97.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.963 . . . . 0.0 109.715 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.802 0.81 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.71 -41.97 98.02 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.669 0.747 . . . . 0.0 110.27 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.4 m -60.21 -40.38 89.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.627 0.727 . . . . 0.0 110.338 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.86 -41.27 99.31 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.459 -0.776 . . . . 0.0 110.382 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.8 -35.87 81.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.333 -0.855 . . . . 0.0 109.938 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.74 -43.27 99.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.33 -0.856 . . . . 0.0 110.052 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.99 -40.25 87.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.742 . . . . 0.0 109.764 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.55 -44.76 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.445 -0.784 . . . . 0.0 109.885 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' A' ' 13' ' ' ARG . 46.8 mm-40 -60.77 -42.05 96.71 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.276 -0.89 . . . . 0.0 109.13 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' NH2' ' OE2' ' A' ' 36' ' ' GLU . 3.1 tpp85 -63.99 -47.93 78.42 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.162 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.26 -43.19 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.555 0.693 . . . . 0.0 109.755 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 54.3 ttp180 -61.63 -41.17 97.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.738 0.78 . . . . 0.0 109.002 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 mt -85.36 -6.49 59.23 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.808 0.813 . . . . 0.0 108.853 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t 42.1 70.65 0.26 Allowed 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.719 0.771 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.49 135.32 49.16 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.673 0.749 . . . . 0.0 110.026 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.44 ' H ' ' HG1' ' A' ' 17' ' ' THR . 7.7 p -80.05 147.91 31.29 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.79 0.805 . . . . 0.0 109.954 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -36.31 66.51 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.596 0.712 . . . . 0.0 109.589 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.546 ' HZ3' HH11 ' A' ' 29' ' ' ARG . 13.4 ttmm -61.21 -47.61 85.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.631 -0.668 . . . . 0.0 109.972 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -63.97 -47.61 79.72 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.476 0.655 . . . . 0.0 109.902 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.18 -43.95 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.69 0.757 . . . . 0.0 109.796 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.41 77.07 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.559 0.695 . . . . 0.0 109.525 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.05 -46.56 80.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.651 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.88 55.77 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.091 -1.005 . . . . 0.0 109.538 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.42 -40.45 93.35 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.66 0.743 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.42 30.26 11.06 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.94 167.56 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.493 -1.004 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -74.23 158.14 34.62 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.98 0.895 . . . . 0.0 110.306 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.546 HH11 ' HZ3' ' A' ' 19' ' ' LYS . 11.5 mtm180 -64.24 -35.7 81.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.87 -39.9 94.28 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 121.558 0.694 . . . . 0.0 109.278 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -58.24 -44.34 88.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.47 -0.769 . . . . 0.0 109.006 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.16 -43.81 94.05 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.755 0.788 . . . . 0.0 109.115 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -34.48 78.2 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.871 0.843 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.05 -36.53 84.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.635 0.731 . . . . 0.0 109.127 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.13 -42.77 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.534 -0.729 . . . . 0.0 109.237 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.52 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 82.9 mt-10 -61.55 -35.21 77.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.411 -0.806 . . . . 0.0 109.715 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.63 3.58 47.18 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.307 -0.871 . . . . 0.0 109.385 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 t -66.08 144.25 56.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.393 -0.817 . . . . 0.0 110.458 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.5 -93.22 0.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.63 0.728 . . . . 0.0 109.648 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.0 m -81.59 164.12 22.12 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.673 0.749 . . . . 0.0 110.38 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.07 158.68 41.21 Favored Pre-proline 0 N--CA 1.492 1.67 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.37 160.82 47.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.608 2.205 . . . . 0.0 112.834 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.76 -21.29 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.458 0.646 . . . . 0.0 109.549 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.61 -44.92 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.453 -0.779 . . . . 0.0 109.402 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.94 -41.79 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.606 -0.684 . . . . 0.0 109.433 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.06 -43.0 99.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.52 -0.737 . . . . 0.0 109.686 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -62.53 -42.9 99.82 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.117 0.961 . . . . 0.0 109.006 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.26 -42.31 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.91 71.29 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CD2' ' NZ ' ' A' ' 54' ' ' LYS . 11.9 t80 -60.8 -47.32 86.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.269 -0.894 . . . . 0.0 108.724 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -65.85 -38.34 88.58 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.82 0.819 . . . . 0.0 109.253 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.489 ' HE ' ' CD1' ' A' ' 58' ' ' LEU . 9.8 tpp85 -61.58 -45.48 93.92 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.566 0.698 . . . . 0.0 110.784 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.3 t -57.05 -16.73 7.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.485 -0.759 . . . . 0.0 110.25 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.595 ' NZ ' ' CD2' ' A' ' 50' ' ' PHE . 62.3 mttp -99.79 11.4 39.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.161 -0.962 . . . . 0.0 109.358 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.24 34.38 85.54 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.42 -20.97 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.972 -1.31 . . . . 0.0 109.29 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.14 103.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.839 0.828 . . . . 0.0 110.253 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' CD1' ' HE ' ' A' ' 52' ' ' ARG . 15.2 mt -91.57 -2.42 57.14 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -60.95 -44.69 96.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.473 -0.767 . . . . 0.0 109.597 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.48 67.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.462 -0.774 . . . . 0.0 109.879 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.1 -55.32 30.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.392 -0.817 . . . . 0.0 110.453 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -70.23 -37.27 74.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.455 -0.778 . . . . 0.0 110.435 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -55.21 -34.19 63.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -62.54 -50.57 70.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.351 -0.843 . . . . 0.0 110.174 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.856 . . . . 0.0 109.959 -179.82 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 122.028 0.918 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.15 -41.79 99.34 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.447 0.641 . . . . 0.0 109.944 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.447 ' HG ' ' H ' ' B' ' 5' ' ' ASN . 77.6 p -62.75 -43.77 97.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.52 -0.737 . . . . 0.0 109.862 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . 0.447 ' H ' ' HG ' ' B' ' 4' ' ' SER . 8.9 t30 -72.75 -46.54 52.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.46 -0.775 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.456 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 2.4 tt0 -66.88 -43.13 84.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.61 -42.29 98.67 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.626 0.727 . . . . 0.0 109.845 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.26 -40.14 95.39 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.61 -44.03 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.607 -0.683 . . . . 0.0 109.875 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 4.1 mp0 -63.31 -35.82 81.63 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.219 -0.926 . . . . 0.0 109.708 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' B' ' 15' ' ' SER . 9.7 ttm180 -59.66 -42.13 92.13 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.25 -0.907 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.84 -42.03 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 109.001 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -51.13 -44.55 61.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 0.0 108.634 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 mt -98.91 0.39 43.99 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.475 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.3 m 39.2 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.495 0.664 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -109.11 133.31 53.17 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.721 0.772 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.416 ' HG1' ' H ' ' B' ' 20' ' ' SER . 81.3 p -84.96 153.29 22.89 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.854 0.835 . . . . 0.0 110.014 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.2 -36.99 80.43 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.727 0.775 . . . . 0.0 109.612 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.01 -41.98 99.72 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.488 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.416 ' H ' ' HG1' ' B' ' 17' ' ' THR . 72.3 m -60.49 -47.14 87.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 109.357 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.1 t -64.81 -44.73 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.379 -0.826 . . . . 0.0 109.826 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.07 -24.72 67.54 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 109.371 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.65 -44.71 81.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.433 -0.792 . . . . 0.0 109.505 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.7 -55.31 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.784 0.802 . . . . 0.0 110.105 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mtp -65.3 -40.45 93.81 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.591 0.71 . . . . 0.0 109.709 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.79 5.55 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 34.7 pt -123.26 162.82 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.621 -0.929 . . . . 0.0 109.994 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -67.54 150.06 49.32 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 122.108 0.956 . . . . 0.0 110.296 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 mtm-85 -63.54 -37.23 86.54 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.265 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.53 -37.27 86.96 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.699 0.762 . . . . 0.0 109.063 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.1 -39.93 87.88 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.645 0.736 . . . . 0.0 109.024 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.72 -41.2 98.11 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.789 0.804 . . . . 0.0 109.62 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 89.4 m -63.77 -34.87 78.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 109.578 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.87 -40.39 95.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.428 -0.795 . . . . 0.0 109.18 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.7 -43.37 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.768 . . . . 0.0 109.406 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.404 ' CD ' HH21 ' B' ' 11' ' ' ARG . 28.5 tp10 -68.19 -30.98 70.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.602 -0.687 . . . . 0.0 109.749 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -85.19 0.28 52.29 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.289 -0.882 . . . . 0.0 109.655 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 56.4 m -88.09 117.6 27.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.24 -0.913 . . . . 0.0 109.905 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -95.34 -9.78 31.96 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.2 p -106.84 135.72 47.91 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.418 -0.801 . . . . 0.0 109.771 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.96 150.01 39.86 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.886 -0.509 . . . . 0.0 109.921 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.85 160.11 50.43 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 123.081 2.521 . . . . 0.0 113.216 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -64.46 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.392 0.615 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -48.34 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.304 -0.873 . . . . 0.0 109.929 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.2 -43.5 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.402 -0.811 . . . . 0.0 109.559 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -62.07 -39.57 92.87 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.715 0.769 . . . . 0.0 109.209 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.418 ' OH ' ' NE ' ' A' ' 11' ' ' ARG . 68.8 t80 -62.09 -42.02 98.79 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.76 0.791 . . . . 0.0 109.438 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.27 -42.96 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 121.84 0.828 . . . . 0.0 108.901 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.12 74.21 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.616 0.722 . . . . 0.0 109.578 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.19 -40.6 96.57 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.66 -40.76 88.81 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.269 -0.894 . . . . 0.0 108.637 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 52' ' ' ARG . 11.3 tpt180 -60.7 -35.79 77.17 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.275 -0.891 . . . . 0.0 108.751 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -56.06 -21.49 22.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 108.84 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -99.39 -3.73 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 38.17 24.26 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 49.1 t -71.37 -19.71 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.266 -1.138 . . . . 0.0 109.217 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.28 67.47 0.94 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.445 0.641 . . . . 0.0 109.962 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 5.94 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.943 . . . . 0.0 109.062 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.04 -42.17 98.9 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.874 0.845 . . . . 0.0 108.985 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.455 ' CB ' HH21 ' B' ' 64' ' ' ARG . . . -79.31 -22.09 45.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.551 -0.718 . . . . 0.0 109.376 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -49.42 73.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.497 -0.752 . . . . 0.0 109.895 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -72.17 -42.94 65.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 109.385 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.01 -19.24 51.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 108.399 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.455 HH21 ' CB ' ' B' ' 60' ' ' ALA . 4.1 tpp85 -66.45 -42.33 87.78 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.838 0.828 . . . . 0.0 109.086 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.49 1.569 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 -178.51 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.521 0.677 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -51.71 67.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.514 -0.741 . . . . 0.0 110.25 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -68.35 -32.69 72.97 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.784 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.39 -42.97 98.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.677 -0.639 . . . . 0.0 110.211 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 40.5 mt-10 -66.11 -38.54 88.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.2 tp -62.96 -40.96 99.29 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.456 0.646 . . . . 0.0 109.808 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.96 -37.54 87.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.481 -0.762 . . . . 0.0 109.638 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.36 -44.99 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.749 -0.595 . . . . 0.0 109.68 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 1.3 mp0 -67.14 -38.82 86.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.576 -0.702 . . . . 0.0 109.19 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 36' ' ' GLU . 62.1 ttp180 -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.58 -41.95 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.508 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -58.47 -43.77 89.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.51 -0.744 . . . . 0.0 109.341 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' SER . 97.6 mt -92.05 -3.61 55.55 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LEU . 32.3 t 39.82 70.6 0.22 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.79 0.805 . . . . 0.0 110.163 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -103.75 134.9 46.29 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.822 0.82 . . . . 0.0 110.227 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.433 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 18.2 p -74.81 138.49 42.63 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 122.015 0.912 . . . . 0.0 109.895 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.74 -37.29 87.1 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.381 0.61 . . . . 0.0 109.536 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' CB ' HH21 ' A' ' 29' ' ' ARG . 88.2 tttt -62.76 -43.49 98.66 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.325 0.583 . . . . 0.0 109.726 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.433 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 79.4 p -60.23 -50.26 74.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.539 -0.725 . . . . 0.0 110.148 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.53 -42.71 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.686 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.38 85.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.638 -0.664 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -67.85 -39.14 83.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.544 -0.722 . . . . 0.0 109.765 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.22 -41.71 85.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.444 -0.785 . . . . 0.0 109.692 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mtp -66.14 -37.83 86.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.728 -0.608 . . . . 0.0 109.541 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.62 15.2 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -126.21 165.37 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.655 -0.909 . . . . 0.0 110.038 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -87.49 171.09 10.79 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.818 0.818 . . . . 0.0 109.982 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.433 HH21 ' CB ' ' A' ' 19' ' ' LYS . 62.6 mtt180 -62.17 -36.07 80.74 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.289 0.566 . . . . 0.0 109.702 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -46.37 -51.06 15.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.56 -0.712 . . . . 0.0 109.453 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -71.23 -37.03 72.04 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.533 0.682 . . . . 0.0 109.826 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.18 -43.32 99.1 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.594 0.711 . . . . 0.0 109.815 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.12 -36.03 77.07 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.492 0.663 . . . . 0.0 109.754 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -64.15 -38.62 91.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.759 -0.588 . . . . 0.0 109.758 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -62.51 -43.18 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.583 -0.698 . . . . 0.0 109.761 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 19.3 tt0 -61.35 -35.31 77.07 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.39 19.47 0.98 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.561 ' O ' ' N ' ' A' ' 40' ' ' THR . 69.7 m -80.03 -5.6 56.1 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 53.47 -78.18 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.232 0.539 . . . . 0.0 110.41 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 38' ' ' SER . 64.6 p -96.11 165.67 12.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.73 0.776 . . . . 0.0 109.964 -179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.43 161.36 34.75 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.753 -0.592 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.01 150.18 48.13 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.43 2.086 . . . . 0.0 112.764 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.08 -20.64 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.577 -0.702 . . . . 0.0 109.371 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 t -64.65 -42.28 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.508 -0.745 . . . . 0.0 109.05 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.11 -45.1 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.43 -36.79 83.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.576 -0.703 . . . . 0.0 109.213 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.35 -53.55 56.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.632 -0.667 . . . . 0.0 109.686 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 pt -67.1 -28.53 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.363 -0.836 . . . . 0.0 109.126 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.16 84.46 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.527 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 73.6 t80 -61.68 -45.37 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -38.43 91.08 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -61.91 -40.73 96.47 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.676 -0.64 . . . . 0.0 109.363 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 94.6 p -62.46 -21.52 65.51 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.546 -0.721 . . . . 0.0 109.118 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 30.7 mmtp -84.17 6.73 21.39 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.99 13.14 78.25 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.79 134.0 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.311 -1.111 . . . . 0.0 109.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -70.1 79.6 0.5 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 122.059 0.933 . . . . 0.0 109.709 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.9 tp -92.33 -33.39 14.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -62.33 -47.06 85.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.561 -0.712 . . . . 0.0 109.989 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.69 74.97 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.633 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.98 -44.55 91.61 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.695 -0.628 . . . . 0.0 109.552 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 65' ' ' ILE . 8.2 m-85 -73.13 -50.38 23.01 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.551 -0.718 . . . . 0.0 109.875 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -41.22 -37.52 0.95 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.771 -0.581 . . . . 0.0 110.915 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' HB3' HH11 ' A' ' 64' ' ' ARG . 0.0 OUTLIER -82.37 -25.07 34.14 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.724 -1.235 . . . . 0.0 110.051 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' PHE . 5.0 mm . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.638 -0.664 . . . . 0.0 109.588 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.61 0.719 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.13 -45.48 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.648 -0.658 . . . . 0.0 110.053 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -65.51 -37.78 87.77 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.468 0.652 . . . . 0.0 109.371 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . 0.415 ' C ' HD21 ' B' ' 5' ' ' ASN . 0.4 OUTLIER -64.81 -45.62 85.46 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -70.72 -38.77 73.63 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.518 0.675 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.73 -41.72 98.0 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.557 0.694 . . . . 0.0 109.507 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.73 -39.88 95.48 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.03 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.282 0.563 . . . . 0.0 109.514 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.1 -42.28 65.78 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' B' ' 15' ' ' SER . 59.8 ttt180 -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.699 -0.626 . . . . 0.0 109.507 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.7 -42.61 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.694 -0.629 . . . . 0.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -60.26 -43.5 96.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.46 -0.775 . . . . 0.0 109.334 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.9 mt -92.1 -4.05 54.88 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.457 ' N ' ' O ' ' B' ' 11' ' ' ARG . 15.6 m 40.15 51.63 2.69 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.86 0.838 . . . . 0.0 110.216 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.78 144.3 35.27 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.744 0.783 . . . . 0.0 110.209 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -92.92 139.28 30.7 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.799 0.809 . . . . 0.0 109.704 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.47 77.66 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.8 -44.79 95.22 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.386 0.613 . . . . 0.0 109.576 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -61.19 -49.08 78.63 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.395 0.617 . . . . 0.0 110.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.95 -45.0 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.442 -0.786 . . . . 0.0 109.927 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.96 69.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.1 88.47 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.592 0.71 . . . . 0.0 109.183 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.38 -46.87 37.6 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.69 0.757 . . . . 0.0 109.458 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -64.87 -39.32 93.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 32.07 36.06 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.1 pt -119.12 163.63 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.645 -0.915 . . . . 0.0 109.798 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m -66.58 149.39 50.54 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.912 0.863 . . . . 0.0 110.075 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -62.12 -33.2 74.02 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.321 0.582 . . . . 0.0 109.566 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.35 -44.21 92.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.602 -0.686 . . . . 0.0 109.557 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.94 -43.07 89.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.689 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.33 -41.11 96.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.533 -0.729 . . . . 0.0 109.876 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.73 -36.42 76.54 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.456 0.646 . . . . 0.0 109.759 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 38' ' ' SER . 4.6 m120 -63.4 -40.45 97.23 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.309 0.576 . . . . 0.0 110.157 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.85 -43.73 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.789 -0.569 . . . . 0.0 109.611 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -66.92 -31.83 72.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.613 -0.679 . . . . 0.0 109.354 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -96.28 -7.1 36.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.387 -0.821 . . . . 0.0 109.415 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 34' ' ' ASN . 33.0 t -61.9 150.21 38.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.869 0.842 . . . . 0.0 110.332 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.2 -118.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.304 0.573 . . . . 0.0 110.031 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -87.56 169.25 12.34 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.954 0.883 . . . . 0.0 110.965 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.11 155.93 79.58 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.8 159.61 53.05 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.65 2.233 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.18 -16.83 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.64 -43.93 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.491 0.662 . . . . 0.0 109.623 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.35 -41.82 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 CA-C-O 121.493 0.664 . . . . 0.0 109.618 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -57.93 -40.92 81.61 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.51 -0.744 . . . . 0.0 109.246 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.52 -43.75 98.31 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.767 0.794 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.49 -42.96 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-O 121.483 0.659 . . . . 0.0 109.705 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.16 73.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.631 -0.668 . . . . 0.0 109.585 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.628 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 13.3 t80 -61.13 -48.33 82.11 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -64.62 -39.45 93.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -40.93 91.64 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.399 0.619 . . . . 0.0 109.384 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t -58.0 -33.3 68.78 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.628 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 63.3 mttp -79.05 1.17 24.97 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.634 0.731 . . . . 0.0 109.065 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.76 88.11 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 57' ' ' ASP . 52.4 t -64.13 -21.0 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.504 -0.998 . . . . 0.0 109.069 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' B' ' 56' ' ' VAL . 10.1 t70 75.93 43.64 0.16 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.886 0.85 . . . . 0.0 108.824 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 61' ' ' LEU . 5.5 tt -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.377 0.608 . . . . 0.0 109.881 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -44.24 -40.73 5.36 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.391 -0.818 . . . . 0.0 109.547 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.23 64.24 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.791 0.805 . . . . 0.0 109.243 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 58' ' ' LEU . 47.0 tp -60.27 -41.65 93.71 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -72.0 -41.98 66.98 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.603 -0.686 . . . . 0.0 110.795 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -51.59 -43.5 62.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.527 -0.733 . . . . 0.0 110.13 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.574 -0.704 . . . . 0.0 110.119 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 65' ' ' ILE . 35.3 mm . . . . . 0 N--CA 1.503 2.176 0 O-C-N 121.306 -0.871 . . . . 0.0 109.369 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.362 0.601 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.42 -44.73 95.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.323 -0.861 . . . . 0.0 110.066 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.486 ' C ' ' HZ1' ' A' ' 8' ' ' LYS . 78.0 p -69.26 -39.27 78.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 110.467 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -64.3 -42.39 96.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 0.0 109.955 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.27 -37.95 78.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.304 -0.873 . . . . 0.0 109.232 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -41.73 98.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.548 -0.72 . . . . 0.0 109.309 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.486 ' HZ1' ' C ' ' A' ' 4' ' ' SER . 34.1 mtmm -69.06 -42.07 76.73 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.885 -1.134 . . . . 0.0 109.988 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 t -48.27 -64.46 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.112 -0.993 . . . . 0.0 110.506 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.43 -44.83 76.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.358 -0.839 . . . . 0.0 109.841 -179.033 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.8 -42.96 94.56 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.336 -0.852 . . . . 0.0 109.148 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.55 -43.39 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.817 -0.552 . . . . 0.0 109.906 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 10' ' ' GLU . 60.3 mtm180 -54.72 -43.74 72.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 109.609 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' SER . 90.6 mt -87.82 -0.89 57.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 108.6 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . 16.8 m 36.32 66.65 0.37 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.346 0.593 . . . . 0.0 110.225 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 85.0 mt -81.69 132.69 35.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.541 -0.724 . . . . 0.0 109.536 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.453 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 7.8 p -81.07 147.27 30.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.287 -0.883 . . . . 0.0 110.307 -179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.67 93.9 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.664 -0.648 . . . . 0.0 109.844 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -64.58 -45.76 85.63 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.683 ' HG ' ' N ' ' A' ' 21' ' ' VAL . 98.1 p -64.96 -46.75 80.21 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.22 -0.925 . . . . 0.0 109.857 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.683 ' N ' ' HG ' ' A' ' 20' ' ' SER . 85.6 t -67.06 -47.21 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.354 -0.841 . . . . 0.0 110.021 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.79 94.99 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.0 110.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.09 -46.87 69.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 110.117 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -67.62 -49.03 65.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.386 -0.821 . . . . 0.0 110.01 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.91 -38.33 82.8 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.242 -0.911 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.95 44.01 4.9 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.7 pt -127.17 162.22 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.521 -0.988 . . . . 0.0 110.13 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -74.42 150.66 39.87 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.449 -0.782 . . . . 0.0 110.036 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -36.02 82.25 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -41.13 82.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.928 . . . . 0.0 109.129 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.35 -39.95 94.9 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.327 -0.858 . . . . 0.0 109.136 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.69 -45.9 90.65 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -37.27 84.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.97 -43.16 99.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.396 -0.815 . . . . 0.0 109.478 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.23 -42.95 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.0 109.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.19 -37.82 70.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.53 -0.731 . . . . 0.0 110.295 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -95.16 -3.9 47.02 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.121 -0.987 . . . . 0.0 109.372 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 147.79 45.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -0.898 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.5 31.12 1.5 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.661 -0.649 . . . . 0.0 109.281 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.92 108.09 6.07 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.262 -0.899 . . . . 0.0 109.075 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 150.96 94.0 Favored Pre-proline 0 N--CA 1.488 1.443 0 O-C-N 121.428 -0.795 . . . . 0.0 109.417 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.51 155.32 63.7 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.264 1.976 . . . . 0.0 112.958 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.64 -21.48 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.596 -0.69 . . . . 0.0 109.347 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.22 -44.17 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.39 -45.19 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.254 -0.904 . . . . 0.0 109.23 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.73 -40.78 98.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.26 -45.59 92.74 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.87 -43.03 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.232 0.539 . . . . 0.0 109.669 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.19 73.77 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.321 -0.862 . . . . 0.0 109.261 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.431 ' O ' ' OG ' ' A' ' 53' ' ' SER . 20.3 t80 -61.89 -47.38 85.23 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.7 -40.45 92.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.429 -0.794 . . . . 0.0 109.598 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -64.44 -36.65 84.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.147 -0.971 . . . . 0.0 109.749 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 95.0 p -59.79 -21.94 61.49 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.349 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -89.31 3.05 53.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.035 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.64 23.1 60.75 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.52 131.74 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.059 -1.259 . . . . 0.0 109.954 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.17 54.38 0.87 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.397 -0.814 . . . . 0.0 109.755 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp -77.98 -24.14 48.13 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -35.52 80.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.365 -0.835 . . . . 0.0 108.837 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.4 89.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.397 -0.815 . . . . 0.0 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -41.79 96.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.53 -36.84 83.86 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.166 -0.958 . . . . 0.0 110.425 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.43 -33.15 73.24 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.814 -1.179 . . . . 0.0 109.815 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 65' ' ' ILE . 35.3 mm . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.873 . . . . 0.0 110.472 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 14.7 mt-10 . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.51 0.671 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.68 -43.14 97.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.484 -0.76 . . . . 0.0 109.769 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -55.86 -37.59 68.97 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.32 -0.862 . . . . 0.0 110.686 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -45.96 91.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.943 -1.098 . . . . 0.0 111.012 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 6' ' ' GLU . 1.1 mp0 -69.21 -48.22 62.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.749 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.233 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -54.95 -42.36 72.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.771 . . . . 0.0 110.112 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.53 -47.82 91.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.194 -0.942 . . . . 0.0 109.707 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.34 -30.84 65.11 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.784 -1.198 . . . . 0.0 109.35 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.432 ' C ' ' NH1' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -61.39 -37.47 83.52 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 80.7 mt -85.01 -42.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.418 -0.801 . . . . 0.0 109.82 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -59.27 -42.14 90.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.082 -1.011 . . . . 0.0 108.64 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.05 -2.84 53.11 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m 41.01 82.77 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.278 0.561 . . . . 0.0 110.632 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.68 137.41 34.79 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.807 0.813 . . . . 0.0 109.775 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -94.46 123.58 37.97 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.674 0.75 . . . . 0.0 109.437 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.91 83.95 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.614 -0.679 . . . . 0.0 110.113 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.23 -0.919 . . . . 0.0 110.436 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -66.58 -46.62 75.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.156 -0.965 . . . . 0.0 109.998 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.75 -45.45 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.498 -0.751 . . . . 0.0 109.646 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.45 98.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.553 -0.717 . . . . 0.0 110.315 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.1 -49.5 71.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.197 -0.94 . . . . 0.0 109.674 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.86 -41.67 82.51 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.309 -0.869 . . . . 0.0 109.421 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -66.42 -39.34 88.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.501 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.55 11.02 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 19.5 pt -127.02 165.85 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.355 -1.085 . . . . 0.0 110.1 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -74.14 153.26 39.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.449 -0.782 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -63.37 -36.06 82.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.609 -0.682 . . . . 0.0 109.745 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.91 -41.81 96.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.609 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.82 -41.42 97.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.905 . . . . 0.0 108.978 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.9 -41.95 99.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.549 -0.719 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -36.07 73.54 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.45 -0.781 . . . . 0.0 109.479 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.69 -39.22 90.68 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.91 97.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.589 -0.695 . . . . 0.0 109.458 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.03 -43.07 86.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.407 -0.808 . . . . 0.0 109.852 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -97.2 36.54 1.44 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.172 -0.955 . . . . 0.0 109.37 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -83.23 99.77 10.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.35 -0.843 . . . . 0.0 109.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -102.13 -10.46 19.62 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.5 m -125.49 93.68 3.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.75 153.99 89.29 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.375 -0.828 . . . . 0.0 109.773 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.76 162.26 43.21 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.677 2.251 . . . . 0.0 113.059 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 m -59.18 -18.35 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.466 -0.771 . . . . 0.0 109.845 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.42 -42.97 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.982 . . . . 0.0 109.705 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.51 -44.04 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.147 -0.97 . . . . 0.0 109.356 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.64 -39.37 88.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.208 -0.932 . . . . 0.0 108.775 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.14 -47.31 85.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.46 -0.775 . . . . 0.0 109.358 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.408 HG23 HD11 ' B' ' 48' ' ' ILE . 95.4 mt -63.92 -44.33 97.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.551 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.19 90.15 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.374 -0.829 . . . . 0.0 109.741 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.2 -46.59 88.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.35 -0.844 . . . . 0.0 108.883 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.3 -42.93 99.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.42 -0.8 . . . . 0.0 109.503 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.428 HH11 ' HG3' ' B' ' 52' ' ' ARG . 25.7 tpt85 -64.47 -40.65 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.382 -0.824 . . . . 0.0 109.349 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -61.07 -18.2 56.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.465 -0.772 . . . . 0.0 109.509 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.04 2.81 56.04 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 108.951 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.65 1.52 65.89 Favored Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -63.33 137.35 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -1.203 . . . . 0.0 109.173 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 57' ' ' ASP . 10.3 p-10 -83.91 90.12 7.34 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.005 0.907 . . . . 0.0 110.816 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 3.9 mm? -86.21 -13.09 47.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.034 -1.041 . . . . 0.0 108.413 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 8.9 p-10 -67.72 -48.88 65.25 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.863 . . . . 0.0 109.61 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.42 91.47 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.14 -47.63 85.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.289 -0.882 . . . . 0.0 109.543 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.79 -38.26 89.96 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.762 -0.586 . . . . 0.0 110.072 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -55.94 -40.07 72.61 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.523 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -69.24 -36.15 76.86 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.126 -0.984 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.81 -1.181 . . . . 0.0 110.766 -178.765 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.604 0.716 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.82 -41.54 95.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.562 -0.711 . . . . 0.0 110.279 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.9 m -57.51 -34.35 68.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.344 -0.847 . . . . 0.0 110.299 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.63 -40.3 96.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 0.0 110.06 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -64.91 -41.25 95.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.647 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.15 -42.35 99.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.249 -0.907 . . . . 0.0 109.235 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.16 -45.38 88.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 109.875 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.47 -47.42 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.0 110.035 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.86 -43.92 97.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.302 -0.874 . . . . 0.0 109.973 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -60.36 -44.35 95.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.073 -1.017 . . . . 0.0 108.822 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.99 -42.96 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.514 -0.742 . . . . 0.0 109.182 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.792 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.9 mt -85.66 -4.13 59.08 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p 42.1 59.17 2.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.679 -0.638 . . . . 0.0 110.041 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.96 142.13 30.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.455 -0.778 . . . . 0.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 p -82.14 136.68 35.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.464 -0.773 . . . . 0.0 110.428 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.04 82.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.576 -0.702 . . . . 0.0 109.549 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.72 -46.9 85.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.883 . . . . 0.0 109.944 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.8 t -61.81 -45.18 94.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.911 . . . . 0.0 109.625 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -67.48 -42.67 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.309 -0.869 . . . . 0.0 109.666 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.69 90.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.0 110.407 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.76 -37.65 86.92 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.104 -0.997 . . . . 0.0 109.589 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.14 -44.19 60.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.06 -1.025 . . . . 0.0 109.418 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.37 -39.25 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.51 26.86 9.58 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -127.83 168.37 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.45 -1.029 . . . . 0.0 110.137 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 154.99 41.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.765 . . . . 0.0 110.117 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -61.72 -43.05 99.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.528 -0.733 . . . . 0.0 109.57 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.9 -36.7 85.2 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.177 -0.952 . . . . 0.0 108.957 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.09 -37.01 85.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.37 -0.831 . . . . 0.0 108.796 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.97 -44.77 96.85 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.221 -0.925 . . . . 0.0 108.68 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.87 -33.55 74.97 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.863 0.84 . . . . 0.0 108.98 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.93 -36.52 84.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.663 -0.648 . . . . 0.0 110.327 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -43.45 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.955 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -64.81 -36.87 85.74 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.493 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -107.74 38.53 2.14 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p -82.46 -92.02 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.526 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -166.54 -143.57 0.06 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.38 -0.825 . . . . 0.0 110.041 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 p -72.13 166.4 22.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.285 -0.884 . . . . 0.0 110.65 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.04 151.6 47.15 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.58 -0.7 . . . . 0.0 109.696 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.16 150.35 59.55 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.583 2.189 . . . . 0.0 112.762 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.86 -16.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.534 -0.729 . . . . 0.0 109.793 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.9 t -59.32 -42.56 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.592 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.37 -42.38 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.684 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CD ' ' SD ' ' B' ' 25' ' ' MET . 63.9 mttp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.961 -1.087 . . . . 0.0 109.144 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -54.98 39.09 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.423 HD11 HG23 ' A' ' 48' ' ' ILE . 91.6 mt -46.76 -36.16 3.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.312 -0.868 . . . . 0.0 109.296 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.05 93.52 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.428 -0.795 . . . . 0.0 109.685 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.36 -42.44 98.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.894 . . . . 0.0 109.648 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -65.8 -37.84 87.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -0.909 . . . . 0.0 109.507 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.51 -20.5 55.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 0.0 109.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -90.64 2.97 55.41 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.4 57.86 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' LEU . 56.1 t -67.72 137.87 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -1.133 . . . . 0.0 110.071 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.53 63.23 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.589 0.709 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' VAL . 53.6 tp -65.57 -41.63 92.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.714 . . . . 0.0 109.325 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 28.4 p-10 -60.14 -43.7 95.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.414 -0.804 . . . . 0.0 110.18 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.29 89.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.098 -1.001 . . . . 0.0 109.796 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.44 -52.75 62.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.822 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.61 -42.35 74.48 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.335 -0.853 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -48.78 -43.02 37.56 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 108.82 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -46.02 71.89 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.565 -0.709 . . . . 0.0 109.975 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.145 -0.972 . . . . 0.0 110.444 -179.059 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.584 0.707 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.23 -44.05 96.33 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.449 -0.782 . . . . 0.0 109.693 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -67.82 -35.75 79.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.95 -43.74 97.97 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.138 -0.976 . . . . 0.0 108.606 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.475 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 4.5 mm-40 -69.73 -42.9 73.36 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.91 -41.54 82.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.746 . . . . 0.0 109.202 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.03 -39.96 94.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.396 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.28 -46.65 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.188 -0.945 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 6.0 mp0 -66.53 -38.32 86.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.115 -0.991 . . . . 0.0 109.64 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -59.45 -46.89 87.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -0.999 . . . . 0.0 108.797 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.45 -40.65 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.482 -0.761 . . . . 0.0 109.446 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -53.61 -41.82 67.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.373 -0.829 . . . . 0.0 109.427 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -83.74 -8.16 59.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.08 -1.013 . . . . 0.0 108.769 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' B' ' 15' ' ' SER . 3.4 t 59.04 61.92 2.0 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.182 0.515 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.38 133.0 53.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 121.86 0.838 . . . . 0.0 109.645 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -86.88 154.56 20.76 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.612 0.72 . . . . 0.0 109.675 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.98 82.03 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.511 -0.743 . . . . 0.0 109.274 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.12 -42.39 99.53 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.498 -0.752 . . . . 0.0 109.655 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -60.31 -50.86 71.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.172 -0.955 . . . . 0.0 110.152 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.14 -44.06 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-O 121.718 0.77 . . . . 0.0 109.828 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.23 70.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.494 -0.754 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -67.62 -35.5 79.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.257 -0.902 . . . . 0.0 109.385 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.64 -68.47 0.33 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.423 -0.798 . . . . 0.0 109.235 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.406 ' SD ' ' CD ' ' A' ' 46' ' ' LYS . 68.0 mtm -67.02 -39.09 86.96 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.692 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.46 52.69 2.28 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -122.1 163.56 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.527 -0.984 . . . . 0.0 109.793 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -66.38 146.97 53.96 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.476 -0.765 . . . . 0.0 110.332 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.5 -33.07 72.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.632 -0.668 . . . . 0.0 109.213 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -63.63 -40.83 97.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.918 . . . . 0.0 109.524 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.88 -45.68 88.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.276 -0.89 . . . . 0.0 109.839 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.05 -42.15 97.12 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.205 -0.935 . . . . 0.0 109.374 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -60.64 -34.15 73.84 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.822 0.82 . . . . 0.0 109.124 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 38' ' ' SER . 21.0 t30 -66.21 -33.98 76.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.235 -0.916 . . . . 0.0 110.003 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.15 -46.54 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.997 -1.064 . . . . 0.0 110.199 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -70.07 -23.07 63.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.482 -0.762 . . . . 0.0 109.673 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -107.98 2.84 23.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.535 -0.728 . . . . 0.0 109.507 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 34' ' ' ASN . 21.0 p -63.48 171.55 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.01 -1.056 . . . . 0.0 110.419 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -71.83 -121.29 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.559 -0.713 . . . . 0.0 110.188 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.2 t -92.07 -174.05 3.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.407 -0.808 . . . . 0.0 110.655 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.58 150.95 57.88 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.17 157.38 59.77 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.655 2.236 . . . . 0.0 113.114 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.75 -22.83 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.589 -0.694 . . . . 0.0 110.107 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.0 -43.51 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.116 -0.99 . . . . 0.0 109.6 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 83.7 t -61.6 -43.74 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 109.329 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.39 -40.98 96.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.188 -0.945 . . . . 0.0 108.788 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.46 -46.55 89.6 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.0 0.905 . . . . 0.0 108.634 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.07 -42.28 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 108.971 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.529 -0.732 . . . . 0.0 110.079 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -62.1 -48.88 78.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.11 -0.994 . . . . 0.0 108.644 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.37 -39.94 89.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 109.497 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.09 -41.8 98.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.413 -0.804 . . . . 0.0 109.912 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 36.0 t -59.13 -17.83 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.639 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -94.19 -1.23 54.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 108.964 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.52 25.54 60.78 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' B' ' 58' ' ' LEU . 59.3 t -67.14 136.87 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.127 -1.219 . . . . 0.0 109.664 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 82.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.617 0.722 . . . . 0.0 109.712 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 56' ' ' VAL . 54.2 tp -91.54 -50.72 5.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.563 -0.71 . . . . 0.0 110.273 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -60.94 -41.27 95.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.877 . . . . 0.0 109.914 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.14 91.98 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 109.438 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.34 -48.11 82.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.433 -0.792 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' B' ' 63' ' ' ASP . 9.7 m-85 -69.58 -42.23 74.74 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.535 -0.728 . . . . 0.0 109.77 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 62' ' ' PHE . 33.0 t70 -40.25 -45.47 2.08 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.453 0.644 . . . . 0.0 109.963 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -69.73 -42.51 73.88 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.563 -0.71 . . . . 0.0 109.381 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.413 HG21 HD12 ' B' ' 65' ' ' ILE . 96.9 mt . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.203 -0.936 . . . . 0.0 109.949 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.634 0.731 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.429 -0.794 . . . . 0.0 109.499 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -58.13 -36.76 73.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -40.59 97.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.588 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -62.04 -44.65 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 0.0 109.789 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.11 -42.61 99.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.029 -1.044 . . . . 0.0 109.227 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.755 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.08 -45.31 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.447 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -64.84 -34.71 79.03 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.267 -0.896 . . . . 0.0 108.915 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' SER . 51.0 ttp180 -61.11 -47.32 86.84 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.93 -42.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 121.349 0.595 . . . . 0.0 109.51 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -54.71 -45.27 74.01 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.55 -0.17 38.27 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.209 -0.932 . . . . 0.0 108.499 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.0 t 45.16 79.82 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.517 -0.739 . . . . 0.0 109.738 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.561 ' CD1' ' HZ3' ' B' ' 54' ' ' LYS . 76.4 mt -104.82 132.98 50.39 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.452 -0.78 . . . . 0.0 109.424 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -79.93 135.02 36.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.381 -0.824 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.36 84.99 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.503 -0.748 . . . . 0.0 109.816 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.09 -45.51 93.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.277 -0.889 . . . . 0.0 109.683 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -61.33 -46.29 90.89 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.304 -0.873 . . . . 0.0 110.105 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.48 -46.09 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.331 -0.855 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.53 93.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.91 . . . . 0.0 110.078 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.63 -46.91 62.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 110.431 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.98 -35.82 72.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 110.205 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -62.62 -38.37 89.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.895 . . . . 0.0 109.32 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.73 9.42 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -126.52 162.25 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.975 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.498 ' HG ' ' N ' ' A' ' 29' ' ' ARG . 38.3 t -65.12 154.23 38.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.437 -0.789 . . . . 0.0 110.263 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.498 ' N ' ' HG ' ' A' ' 28' ' ' SER . 16.7 ttp180 -63.08 -38.98 93.36 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.73 -40.37 97.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.284 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.89 -40.4 95.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.59 -39.9 95.57 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 0.0 109.109 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.5 m -56.21 -38.86 71.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.99 -41.49 98.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.333 -0.854 . . . . 0.0 109.269 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.93 -42.83 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.0 109.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.02 -39.19 93.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.231 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.72 6.81 48.0 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.841 -1.162 . . . . 0.0 109.063 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -62.23 122.59 16.0 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.296 -0.877 . . . . 0.0 109.886 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -109.78 -7.35 15.06 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -114.05 123.13 48.91 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.34 152.88 37.95 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.367 -0.833 . . . . 0.0 109.568 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.54 159.63 50.73 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.77 2.313 . . . . 0.0 112.88 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.89 -16.99 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.267 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.81 -44.86 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.96 -44.34 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.155 -0.966 . . . . 0.0 109.32 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.9 -40.97 97.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.0 109.254 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.78 -44.49 96.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.113 -0.992 . . . . 0.0 108.359 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.18 -43.14 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.547 -0.72 . . . . 0.0 109.476 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.37 75.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 109.343 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' O ' ' OG ' ' A' ' 53' ' ' SER . 41.2 t80 -61.41 -44.75 96.6 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.436 -0.79 . . . . 0.0 108.898 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.42 -40.53 97.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.261 -0.9 . . . . 0.0 108.95 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -61.16 -40.49 94.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.556 -0.715 . . . . 0.0 109.655 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 94.0 p -60.36 -21.16 61.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -93.32 -1.93 55.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.019 -1.051 . . . . 0.0 108.788 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 73.31 40.01 50.14 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 120.112 -1.042 . . . . 0.0 110.55 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.95 -18.08 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.925 -1.338 . . . . 0.0 109.249 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 2.5 m-20 63.57 56.14 1.64 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.583 0.706 . . . . 0.0 109.706 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.96 -39.32 93.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 179.586 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.57 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 3.9 p-10 -39.57 -39.37 0.72 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.657 -0.652 . . . . 0.0 110.33 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.86 94.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.212 -0.93 . . . . 0.0 109.368 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' LEU . 96.7 mt -64.29 -43.42 94.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -64.01 -40.45 96.38 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.508 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.17 -34.98 75.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.456 -0.778 . . . . 0.0 109.127 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -67.02 -21.78 65.92 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 109.952 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 N--CA 1.491 1.586 0 O-C-N 120.882 -1.136 . . . . 0.0 109.374 179.537 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 5' ' ' ASN . 15.1 pt-20 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.417 0.627 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.89 -41.19 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.48 -0.762 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -60.0 -34.41 73.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.967 -1.083 . . . . 0.0 109.11 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ASN . . . . . 0.402 ' H ' ' HG3' ' B' ' 2' ' ' GLU . 0.4 OUTLIER -65.28 -40.72 94.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.497 -0.752 . . . . 0.0 109.323 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.95 -36.26 82.85 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.287 -0.883 . . . . 0.0 109.171 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.58 -42.83 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.531 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -38.06 88.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 109.378 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.86 -42.93 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.281 -0.887 . . . . 0.0 109.134 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.458 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 89.4 mt-10 -55.45 -41.77 73.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.297 -0.877 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 15' ' ' SER . 10.5 ttp180 -60.39 -47.07 87.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.366 -0.834 . . . . 0.0 108.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.51 -42.69 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' B' ' 13' ' ' ARG . 41.8 ttt-85 -56.76 -45.72 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.479 -0.763 . . . . 0.0 109.337 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' B' ' 15' ' ' SER . 96.5 mt -98.41 1.55 46.98 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 36.82 76.01 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.74 160.03 21.35 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.759 0.79 . . . . 0.0 110.026 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -97.08 126.05 41.97 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.83 82.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.58 -0.7 . . . . 0.0 109.544 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -63.92 -43.06 97.03 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -50.11 73.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 110.129 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.41 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 85.8 t -68.56 -45.18 82.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 110.091 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.296 -0.877 . . . . 0.0 110.552 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.53 -45.56 82.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.261 -0.899 . . . . 0.0 109.895 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.25 -43.64 73.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.519 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.41 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 91.5 mtp -66.18 -39.66 89.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 109.733 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.39 33.3 4.26 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -130.29 165.7 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.419 -1.048 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -79.17 167.99 20.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.82 . . . . 0.0 110.534 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -64.93 -36.94 85.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.57 -0.706 . . . . 0.0 109.342 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.78 -48.07 78.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.27 -0.894 . . . . 0.0 110.217 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.14 -41.65 88.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 0.0 109.082 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.91 -39.71 94.79 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.397 -0.814 . . . . 0.0 109.21 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 t -58.91 -32.29 69.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.0 109.083 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.19 -39.03 89.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.224 -0.923 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -44.54 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.321 -0.862 . . . . 0.0 110.64 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -78.24 -15.08 59.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.892 -1.13 . . . . 0.0 108.995 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -98.63 11.82 37.27 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.8 142.77 52.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.858 . . . . 0.0 110.535 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -104.68 -36.96 7.27 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.6 p -131.88 156.58 45.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.554 -0.716 . . . . 0.0 109.529 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.71 151.95 38.79 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.43 160.5 49.55 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.64 2.227 . . . . 0.0 112.728 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.43 -19.38 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.0 109.131 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.17 -44.97 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.331 -0.856 . . . . 0.0 109.116 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.34 -44.2 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.317 -0.864 . . . . 0.0 109.049 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.81 -41.34 97.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.838 . . . . 0.0 109.236 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.97 -44.28 97.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.32 -0.863 . . . . 0.0 109.183 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.418 HG23 HD11 ' B' ' 48' ' ' ILE . 94.4 mt -63.18 -43.5 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.61 -34.6 75.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.424 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.02 -49.01 79.33 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.347 -0.846 . . . . 0.0 108.85 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.78 -39.16 87.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.529 -0.732 . . . . 0.0 109.121 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 52' ' ' ARG . 29.0 ttp180 -61.94 -41.19 97.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.3 -0.875 . . . . 0.0 109.501 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -62.79 -18.52 62.83 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.025 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.561 ' HZ3' ' CD1' ' A' ' 16' ' ' LEU . 99.3 mttt -90.37 4.2 51.55 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.31 78.57 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.587 ' O ' ' N ' ' B' ' 58' ' ' LEU . 51.0 t -64.56 145.55 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.055 -1.262 . . . . 0.0 109.526 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.3 72.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.571 0.701 . . . . 0.0 109.528 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -69.01 -43.07 75.54 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.57 0.7 . . . . 0.0 110.618 -178.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.76 -41.1 97.24 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.93 81.96 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.47 -0.769 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.41 -50.71 72.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.074 -1.016 . . . . 0.0 110.1 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.24 -40.05 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.242 -0.911 . . . . 0.0 110.651 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.458 ' HB3' HH21 ' B' ' 64' ' ' ARG . 16.4 t0 -62.47 -38.46 89.92 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.519 -0.738 . . . . 0.0 110.431 -178.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . 0.548 ' CA ' ' HE ' ' B' ' 64' ' ' ARG . 0.0 OUTLIER -58.92 -16.08 15.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.908 -1.12 . . . . 0.0 108.358 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . 0.42 HG22 HD13 ' B' ' 65' ' ' ILE . 13.0 mm . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -79.82 -173.19 3.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.193 -0.942 . . . . 0.0 109.661 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.41 -43.06 99.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.424 -0.797 . . . . 0.0 109.834 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -75.71 -33.51 60.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.824 -1.173 . . . . 0.0 109.97 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.4 -45.62 90.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.094 -1.003 . . . . 0.0 110.096 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -69.32 -34.5 74.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.113 -0.992 . . . . 0.0 108.958 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 tp -60.75 -33.48 72.99 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' CB ' ' HZ1' ' A' ' 8' ' ' LYS . 10.3 mtpm? -74.49 -36.53 63.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.46 -46.55 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.328 -0.858 . . . . 0.0 110.509 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -65.19 -42.34 93.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.7 -1.25 . . . . 0.0 109.144 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 15' ' ' SER . 42.8 ttm180 -62.6 -47.17 84.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.886 -1.134 . . . . 0.0 109.148 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.58 -43.34 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.419 -0.801 . . . . 0.0 109.98 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -59.58 -43.64 93.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.387 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.0 -4.16 47.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 108.781 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 11' ' ' ARG . 34.7 t 45.14 78.68 0.06 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.376 -0.828 . . . . 0.0 110.048 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.1 mt -112.33 133.22 54.55 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.427 -0.796 . . . . 0.0 109.3 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -85.61 159.44 19.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.191 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.22 -38.59 75.28 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.61 -48.18 73.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.51 -0.744 . . . . 0.0 109.877 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.7 t -63.28 -44.91 93.76 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.099 -1.0 . . . . 0.0 109.365 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.23 -43.75 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.444 -0.785 . . . . 0.0 110.161 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.8 99.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.074 -1.016 . . . . 0.0 110.35 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.91 -43.2 79.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.799 -1.188 . . . . 0.0 109.466 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.1 -43.51 78.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.183 -0.948 . . . . 0.0 109.381 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 86.1 mmm -66.08 -39.31 89.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -0.793 . . . . 0.0 109.548 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.1 26.97 14.53 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.3 164.9 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.688 -0.889 . . . . 0.0 109.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -73.72 155.31 39.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -63.89 -34.95 79.09 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.26 -41.02 87.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 109.145 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.07 -38.76 92.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.303 -0.873 . . . . 0.0 108.923 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.86 -42.0 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.41 -0.807 . . . . 0.0 109.008 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.9 m -62.13 -33.81 75.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.51 -38.82 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.81 -43.25 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 108.996 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.84 -35.3 80.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.511 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -89.48 6.82 39.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.244 -0.91 . . . . 0.0 109.657 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -65.03 159.42 23.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 109.286 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 1.7 pm0 -108.51 118.94 38.08 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.657 0.741 . . . . 0.0 109.575 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 39' ' ' GLU . 20.5 p 46.2 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.528 0.68 . . . . 0.0 110.29 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.37 146.3 37.51 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.339 -0.85 . . . . 0.0 109.092 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.51 159.43 42.97 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.392 2.061 . . . . 0.0 111.956 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 m -62.87 -28.26 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.342 -0.849 . . . . 0.0 109.742 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.73 -46.93 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.187 -0.946 . . . . 0.0 109.271 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.72 -43.02 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 0.0 109.519 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.37 -41.11 96.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.85 . . . . 0.0 109.313 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.22 -44.3 97.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.44 -42.74 96.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.352 -0.842 . . . . 0.0 109.319 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -33.64 67.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.976 . . . . 0.0 108.715 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -61.86 -43.89 97.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.377 -0.827 . . . . 0.0 109.302 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 2.4 mm? -61.33 -40.26 93.58 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.13 -0.981 . . . . 0.0 108.906 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.507 HH22 HH22 ' B' ' 52' ' ' ARG . 15.9 ttm180 -62.81 -38.76 91.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.01 -1.056 . . . . 0.0 108.652 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -58.39 -19.09 32.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.201 -0.937 . . . . 0.0 109.043 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -91.71 5.26 50.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.336 -0.852 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.82 18.18 70.84 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.76 134.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.963 -1.316 . . . . 0.0 109.741 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.91 70.94 0.51 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.283 -0.885 . . . . 0.0 109.43 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.49 -41.99 98.54 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.463 -0.773 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -59.67 -42.82 93.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.74 76.48 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.131 -0.98 . . . . 0.0 109.064 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.1 -48.95 79.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.854 . . . . 0.0 109.892 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.68 -35.04 74.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.993 -1.067 . . . . 0.0 109.835 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.95 -35.1 74.24 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.98 -40.65 91.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.642 -0.661 . . . . 0.0 110.158 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.78 -44.52 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.312 -0.868 . . . . 0.0 110.633 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.1 pt -78.49 150.14 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.939 -1.1 . . . . 0.0 110.844 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.4 t 56.9 160.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 121.465 0.65 . . . . 0.0 110.458 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -46.43 162.21 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.477 -0.765 . . . . 0.0 109.57 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.72 104.59 1.08 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 108.841 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 pp -87.89 127.58 35.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.659 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' A' ' 72' ' ' HIS . 0.4 OUTLIER -151.48 -61.34 0.17 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.248 -0.908 . . . . 0.0 109.251 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.54 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 73.9 m-70 37.33 26.88 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.585 -0.697 . . . . 0.0 110.636 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLU . 12.1 t-80 -90.16 127.31 36.07 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.205 -0.934 . . . . 0.0 110.597 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -146.79 2.25 0.81 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 76' ' ' HIS . 37.3 t-80 -84.55 175.29 9.37 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.478 0.656 . . . . 0.0 109.65 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.615 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 36.3 m80 -70.6 147.46 49.2 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.327 -0.858 . . . . 0.0 109.548 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.4 m80 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.715 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.452 ' O ' ' O ' ' B' ' 2' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' B' ' 1' ' ' MET . 47.4 mt-10 57.05 121.68 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.731 0.776 . . . . 0.0 110.444 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.59 -41.96 99.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.6 m -59.5 -41.07 89.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.67 -41.22 98.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.63 -35.45 78.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.203 -0.935 . . . . 0.0 109.807 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.0 -44.38 97.49 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -66.21 -39.39 89.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.196 -0.94 . . . . 0.0 110.006 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.585 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.1 -39.21 93.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.098 -1.001 . . . . 0.0 109.19 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.418 HH22 ' CB ' ' B' ' 36' ' ' GLU . 32.8 ttm180 -61.64 -45.3 94.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.0 108.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.27 -43.7 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.294 0.569 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -61.8 -41.39 97.69 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' B' ' 15' ' ' SER . 94.3 mt -85.95 -8.26 58.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.1 p 40.3 48.05 2.27 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.432 0.634 . . . . 0.0 109.488 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.64 159.81 26.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.371 -0.83 . . . . 0.0 110.174 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -105.51 134.41 48.66 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.754 0.787 . . . . 0.0 109.935 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -23.2 66.85 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 0.0 109.395 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.92 -46.16 91.77 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.487 -0.758 . . . . 0.0 109.273 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -72.55 -41.37 65.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.392 -0.817 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.58 -46.55 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 0.0 110.66 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.12 89.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.929 -1.107 . . . . 0.0 110.191 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.13 -44.9 82.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.876 -1.14 . . . . 0.0 109.154 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.17 -40.8 64.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.341 -0.85 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.55 -39.92 92.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.173 -0.954 . . . . 0.0 109.453 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.9 29.09 16.43 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.67 166.78 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.433 -1.04 . . . . 0.0 109.758 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -69.17 149.26 48.81 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 108.89 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.46 -36.04 82.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 109.051 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -58.96 -42.18 89.24 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.11 -34.02 77.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 109.339 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.73 -43.16 94.3 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.56 -37.53 86.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -68.55 -29.82 68.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.284 -0.885 . . . . 0.0 110.492 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.7 -44.79 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.796 -1.19 . . . . 0.0 109.346 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.418 ' CB ' HH22 ' B' ' 11' ' ' ARG . 8.8 pt-20 -69.84 -35.55 74.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.979 -1.076 . . . . 0.0 109.167 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.55 ' C ' ' H ' ' B' ' 39' ' ' GLU . 75.2 mt-30 -90.49 13.53 15.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.178 -0.951 . . . . 0.0 109.381 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.513 ' O ' ' N ' ' B' ' 40' ' ' THR . 88.7 p -68.5 34.69 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.157 -0.965 . . . . 0.0 110.115 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' B' ' 37' ' ' GLN . 53.0 mt-10 53.16 -86.53 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.241 -0.912 . . . . 0.0 110.412 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' SER . 9.3 t -131.9 168.08 18.49 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.397 -0.815 . . . . 0.0 109.767 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.99 155.91 77.26 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.384 -0.822 . . . . 0.0 109.085 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.93 160.72 46.97 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.631 2.221 . . . . 0.0 112.11 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.5 -18.4 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.403 -0.81 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.49 -44.6 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.268 -0.895 . . . . 0.0 108.93 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.61 -44.58 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.33 -0.856 . . . . 0.0 108.901 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.23 -40.32 97.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.84 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.42 -41.18 88.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.876 . . . . 0.0 109.039 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.34 -43.15 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.366 -0.834 . . . . 0.0 109.035 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.54 74.73 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.218 -0.926 . . . . 0.0 109.162 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.623 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 17.6 t80 -61.11 -49.81 75.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' B' ' 51' ' ' LEU . 3.3 mm? -66.49 -39.82 88.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 109.081 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.507 HH22 HH22 ' A' ' 52' ' ' ARG . 40.0 ttt180 -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.344 -0.848 . . . . 0.0 108.989 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -57.21 -20.2 25.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.482 -0.761 . . . . 0.0 109.65 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.623 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 59.2 mttp -90.34 8.45 33.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 109.236 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.85 19.67 65.02 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 58' ' ' LEU . 79.3 t -69.4 134.45 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.051 -1.264 . . . . 0.0 109.681 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 70.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.581 -0.699 . . . . 0.0 110.428 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' B' ' 56' ' ' VAL . 49.9 tp -63.62 -42.6 98.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.081 -1.012 . . . . 0.0 109.78 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.719 ' H ' HD21 ' B' ' 59' ' ' ASN . 0.4 OUTLIER -59.56 -41.99 91.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.156 -0.965 . . . . 0.0 109.792 -179.077 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.017 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -46.97 86.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.425 -0.797 . . . . 0.0 109.545 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.35 -33.64 71.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.146 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.08 -41.13 91.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.147 -0.971 . . . . 0.0 109.761 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -64.64 -37.35 87.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.404 -0.81 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.08 -43.67 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.848 -1.158 . . . . 0.0 109.976 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' B' ' 67' ' ' VAL . 22.8 pt -75.18 140.97 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.087 -1.008 . . . . 0.0 109.89 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.604 ' CG2' ' H ' ' B' ' 68' ' ' ASN . 12.8 p -48.1 -177.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.57 0.7 . . . . 0.0 110.718 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.604 ' H ' ' CG2' ' B' ' 67' ' ' VAL . 5.7 t-20 60.14 44.22 13.2 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.178 -0.952 . . . . 0.0 109.211 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -58.26 155.87 10.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.285 -0.885 . . . . 0.0 109.685 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 59.9 mt -66.85 141.1 57.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.874 . . . . 0.0 109.425 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -98.23 -161.26 0.86 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.382 -0.823 . . . . 0.0 109.589 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 120.8 25.46 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.289 -0.882 . . . . 0.0 109.445 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.14 -0.64 57.71 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.131 -0.98 . . . . 0.0 108.933 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 69.07 12.77 8.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.709 -0.619 . . . . 0.0 109.989 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -113.63 133.83 55.07 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.426 -0.796 . . . . 0.0 108.949 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.473 ' C ' ' CG ' ' B' ' 77' ' ' HIS . 32.8 m170 -63.36 -85.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.848 . . . . 0.0 109.979 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.473 ' CG ' ' C ' ' B' ' 76' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 118.016 -0.992 . . . . 0.0 108.923 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' CE ' HD21 ' A' ' 5' ' ' ASN . 92.0 mmm . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 5' ' ' ASN . 3.9 pt-20 -176.31 -116.27 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.55 -0.719 . . . . 0.0 109.303 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 9.0 tp -41.54 -36.8 0.97 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.531 -0.73 . . . . 0.0 109.722 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.7 m -79.35 -32.68 43.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.965 -1.085 . . . . 0.0 109.884 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 2' ' ' GLU . 12.1 t-20 -63.62 -47.15 82.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.131 -0.98 . . . . 0.0 109.998 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -44.92 77.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.278 -0.888 . . . . 0.0 108.855 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.68 -45.58 86.03 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.923 . . . . 0.0 110.192 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.55 -36.41 83.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 109.923 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.501 ' CG1' ' NH2' ' A' ' 13' ' ' ARG . 23.3 t -61.63 -43.07 96.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.34 -0.85 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.23 -36.53 82.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.772 -1.205 . . . . 0.0 109.15 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.64 -42.43 99.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.082 -1.011 . . . . 0.0 109.625 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.83 -51.77 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.164 -0.96 . . . . 0.0 109.898 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' NH2' ' CG1' ' A' ' 9' ' ' VAL . 25.3 mtm-85 -67.36 -38.49 84.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.373 -0.829 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.29 -2.34 52.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.213 -0.93 . . . . 0.0 108.611 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t 53.6 73.5 0.37 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.543 -0.723 . . . . 0.0 110.064 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 mp -114.63 143.39 45.09 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.63 -0.669 . . . . 0.0 109.693 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.689 ' HG1' ' H ' ' A' ' 20' ' ' SER . 71.8 p -119.28 153.06 35.64 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.39 93.67 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.51 -0.744 . . . . 0.0 109.425 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -66.3 -47.11 74.66 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.389 -0.819 . . . . 0.0 110.289 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.689 ' H ' ' HG1' ' A' ' 17' ' ' THR . 38.4 t -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.242 -0.911 . . . . 0.0 110.195 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.52 -44.79 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.279 -0.888 . . . . 0.0 109.734 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.29 74.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 0.0 110.178 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.82 -35.16 76.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.308 -0.87 . . . . 0.0 109.598 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.9 -51.82 17.09 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.239 -0.913 . . . . 0.0 109.817 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mtp -65.94 -39.6 90.63 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.279 -0.888 . . . . 0.0 109.607 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.89 33.49 5.24 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -125.94 161.23 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.388 -1.066 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -75.16 158.8 32.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.388 -0.82 . . . . 0.0 110.286 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 mtp-105 -63.63 -37.07 85.95 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.47 -0.769 . . . . 0.0 109.332 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.27 -41.19 79.24 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.142 -0.974 . . . . 0.0 109.286 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.38 -38.98 91.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.865 . . . . 0.0 109.237 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.08 -42.65 99.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.477 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.0 -36.45 84.03 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.45 -0.781 . . . . 0.0 109.704 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.29 -35.68 81.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.298 -0.876 . . . . 0.0 109.233 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.76 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.199 -0.938 . . . . 0.0 109.118 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -62.99 -35.33 79.84 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.078 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.15 39.11 1.25 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.894 . . . . 0.0 108.892 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' THR . 77.9 p -70.01 -13.02 62.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 108.988 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 54.16 -85.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.376 -0.827 . . . . 0.0 110.291 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' SER . 10.3 t -96.27 158.52 15.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.069 -1.02 . . . . 0.0 109.85 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 127.44 34.75 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.303 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -47.89 145.68 9.76 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.101 1.868 . . . . 0.0 113.542 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.95 -30.22 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 109.243 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.32 -32.67 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.238 -0.914 . . . . 0.0 109.66 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -62.26 -47.43 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.133 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.94 -35.58 81.6 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.343 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.15 -41.77 72.23 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.193 -1.039 . . . . 0.0 108.193 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.43 -43.73 98.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.531 -0.73 . . . . 0.0 109.034 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.31 80.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 0.0 109.467 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.615 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 78.2 t80 -60.03 -44.34 94.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.425 -0.797 . . . . 0.0 109.612 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.25 -41.26 98.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.393 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -62.29 -32.24 72.93 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.236 -0.915 . . . . 0.0 109.151 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -57.84 -21.77 44.32 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.131 -0.981 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.615 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 14.8 mptt -97.14 2.41 51.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.898 . . . . 0.0 108.629 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.75 49.48 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.44 136.9 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.344 . . . . 0.0 109.742 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.7 88.34 2.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.654 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.2 tp -80.03 -27.66 39.45 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.484 -0.76 . . . . 0.0 109.561 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.684 HD22 HH22 ' B' ' 52' ' ' ARG . 8.2 m-80 -61.79 -41.87 98.28 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.395 -0.816 . . . . 0.0 109.908 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.8 94.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.984 -1.073 . . . . 0.0 109.074 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.07 -46.26 81.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.287 -0.883 . . . . 0.0 109.782 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.8 -37.59 79.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.6 -0.688 . . . . 0.0 109.569 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 70.5 m-20 -59.94 -45.99 90.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.212 -0.93 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -67.06 -44.18 80.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.175 -0.953 . . . . 0.0 109.583 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.1 -43.19 95.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.405 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 96.7 mt -74.46 123.69 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.073 -1.017 . . . . 0.0 110.008 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 66' ' ' ILE . 15.4 m -157.61 115.01 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.514 -0.741 . . . . 0.0 109.029 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -71.26 112.54 7.48 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.407 -0.808 . . . . 0.0 110.042 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.73 150.94 22.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.381 -0.825 . . . . 0.0 110.204 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.3 mt -86.31 -5.42 59.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.382 -0.824 . . . . 0.0 109.088 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -89.2 120.14 30.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.248 -0.907 . . . . 0.0 110.054 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.533 ' N ' ' ND1' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -88.77 -90.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.487 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 93.7 m-70 47.08 -118.8 0.92 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.44 -0.788 . . . . 0.0 110.397 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 5.6 m170 45.12 49.18 9.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.366 -0.834 . . . . 0.0 108.945 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -65.64 -44.27 86.94 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.582 -0.699 . . . . 0.0 109.787 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -121.83 128.92 52.2 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.638 -0.664 . . . . 0.0 109.715 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.428 ' O ' ' ND1' ' A' ' 77' ' ' HIS . 58.5 t-80 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.828 -1.082 . . . . 0.0 109.823 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -173.59 -141.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.359 -0.838 . . . . 0.0 110.077 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -45.49 -43.26 11.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.541 -0.724 . . . . 0.0 109.838 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -62.91 -37.1 85.61 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 110.058 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.75 -39.43 94.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 110.043 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.69 -43.87 71.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.535 0.683 . . . . 0.0 109.266 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.91 -41.0 99.29 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.905 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.541 ' HZ3' ' CB ' ' B' ' 8' ' ' LYS . 0.2 OUTLIER -61.79 -40.14 94.18 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.458 -0.776 . . . . 0.0 109.985 -179.279 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.96 -44.18 97.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.141 -0.974 . . . . 0.0 109.212 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.87 -50.35 70.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.46 ' NH1' ' CD ' ' B' ' 36' ' ' GLU . 10.6 ttt180 -65.76 -43.03 90.13 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.425 -0.797 . . . . 0.0 110.219 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.43 -42.9 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.299 -0.876 . . . . 0.0 109.68 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -44.62 85.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.424 -0.798 . . . . 0.0 109.127 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.23 -5.88 59.3 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t 47.65 70.58 0.41 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -110.52 135.3 51.4 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.423 -0.798 . . . . 0.0 109.65 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.451 ' HG1' ' CB ' ' B' ' 20' ' ' SER . 9.9 p -76.63 150.16 36.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.316 -0.865 . . . . 0.0 110.254 -179.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.69 86.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.503 -0.748 . . . . 0.0 109.926 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -64.2 -43.5 94.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.042 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.451 ' CB ' ' HG1' ' B' ' 17' ' ' THR . 77.8 p -59.53 -45.1 92.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.2 -0.937 . . . . 0.0 109.78 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.65 -43.31 86.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.711 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.84 88.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.453 -0.779 . . . . 0.0 110.63 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -66.05 -37.5 85.98 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.88 -44.82 65.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 76.8 mmm -65.09 -38.95 92.38 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.341 -0.849 . . . . 0.0 109.612 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.98 16.53 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.67 163.39 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.446 -1.032 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 97.3 p -76.13 165.64 24.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.517 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -63.09 -35.68 81.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -57.16 -44.37 83.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.414 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.13 -44.72 83.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.375 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -64.24 -42.48 96.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.442 -0.786 . . . . 0.0 109.626 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.9 m -63.44 -36.05 82.46 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.55 -0.719 . . . . 0.0 109.588 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -62.39 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.59 -43.9 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' B' ' 11' ' ' ARG . 81.2 mt-10 -68.94 -12.81 61.99 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -108.47 -7.87 15.69 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -58.65 144.5 43.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.235 -0.916 . . . . 0.0 110.357 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -118.76 -40.75 2.84 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 53.7 m -111.65 126.82 55.43 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.564 -0.71 . . . . 0.0 109.705 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.83 151.81 39.27 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.502 -0.748 . . . . 0.0 109.401 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.4 153.65 77.26 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.368 2.045 . . . . 0.0 112.875 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 46' ' ' LYS . 14.5 p -63.72 -31.59 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.458 -0.776 . . . . 0.0 109.994 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' B' ' 45' ' ' VAL . 7.1 m -41.05 -38.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.644 -0.66 . . . . 0.0 109.866 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.411 ' N ' ' CG2' ' B' ' 44' ' ' VAL . 75.6 t -64.42 -45.02 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.213 -0.929 . . . . 0.0 109.172 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' B' ' 43' ' ' VAL . 99.5 mttt -63.99 -39.43 94.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.301 -0.874 . . . . 0.0 109.403 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -60.12 -41.54 92.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.451 -0.78 . . . . 0.0 109.347 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.86 -42.94 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.34 69.21 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.59 -51.9 66.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.35 -38.41 84.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.354 -0.841 . . . . 0.0 108.866 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.684 HH22 HD22 ' A' ' 59' ' ' ASN . 31.2 ttt180 -59.68 -37.14 77.99 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.414 -0.804 . . . . 0.0 109.135 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -54.91 -35.81 64.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.432 -0.792 . . . . 0.0 109.378 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -84.38 11.83 7.81 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 109.322 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.28 29.17 70.47 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.16 132.65 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.722 -1.458 . . . . 0.0 109.561 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.5 73.16 5.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.262 -0.899 . . . . 0.0 109.171 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -88.07 -9.01 54.67 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -64.95 -42.73 94.36 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.65 90.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.622 -0.674 . . . . 0.0 109.981 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.43 -42.91 99.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.317 -0.864 . . . . 0.0 109.339 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.281 -0.887 . . . . 0.0 109.431 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.25 -34.25 72.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.06 -1.025 . . . . 0.0 108.854 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -61.84 -42.39 98.98 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.72 -44.04 93.39 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 O-C-N 121.618 -0.677 . . . . 0.0 109.762 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.99 87.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.009 -1.057 . . . . 0.0 109.649 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.21 143.52 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.371 -0.831 . . . . 0.0 110.362 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -41.81 138.96 1.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.487 0.66 . . . . 0.0 110.83 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.7 138.56 58.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.508 -0.745 . . . . 0.0 110.257 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' B' ' 71' ' ' GLU . 73.1 mt -68.77 168.79 12.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.512 -0.743 . . . . 0.0 110.315 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' B' ' 70' ' ' LEU . 9.9 tp10 -60.37 -142.43 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.681 -0.637 . . . . 0.0 110.045 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -88.08 110.19 20.45 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.302 -0.874 . . . . 0.0 109.698 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.46 55.42 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -134.84 40.38 2.93 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' B' ' 75' ' ' HIS . 28.1 p-80 -123.45 109.06 13.38 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' B' ' 77' ' ' HIS . 74.9 t60 -173.19 -84.09 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.551 -0.718 . . . . 0.0 109.323 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' B' ' 76' ' ' HIS . 59.8 m80 . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.432 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.2 mmt . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.463 0.649 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -78.25 166.38 22.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.473 -0.767 . . . . 0.0 109.662 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.07 -44.34 96.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -61.75 -43.57 98.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.882 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.98 -48.65 77.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.0 110.279 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 1.6 tt0 -71.11 -38.12 72.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 110.08 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.29 -43.39 92.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.204 -0.935 . . . . 0.0 108.798 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.86 -40.5 95.57 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.43 -0.794 . . . . 0.0 108.952 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.07 -46.76 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.0 109.882 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 3.3 mp0 -55.33 -42.73 74.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.226 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -59.46 -46.1 89.74 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.234 -0.916 . . . . 0.0 109.183 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -75.59 -26.71 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.629 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -62.99 -42.35 99.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' OG ' ' A' ' 15' ' ' SER . 84.2 mt -86.84 -1.6 57.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 15' ' ' SER . 6.1 p 65.65 67.73 0.49 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.39 -0.819 . . . . 0.0 110.142 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -116.45 134.52 54.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.402 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 17.0 p -84.35 156.17 22.0 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.53 65.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.712 -0.618 . . . . 0.0 109.823 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -64.2 -44.27 92.48 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.444 -0.785 . . . . 0.0 110.002 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.478 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 77.8 p -61.85 -46.49 89.24 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 109.638 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.4 t -68.54 -45.14 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.373 -0.83 . . . . 0.0 110.205 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.09 99.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.847 . . . . 0.0 110.533 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -46.44 69.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 110.048 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -68.42 -37.45 80.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.282 -0.886 . . . . 0.0 109.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 70.4 mmm -62.99 -36.72 84.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.95 20.45 16.35 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.41 161.49 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.725 -0.868 . . . . 0.0 109.681 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -69.68 154.81 41.45 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.747 0.784 . . . . 0.0 110.455 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -61.83 -35.82 79.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.346 -0.846 . . . . 0.0 109.3 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.94 -42.14 97.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.302 -0.874 . . . . 0.0 109.096 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.27 -40.32 97.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.263 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -59.73 -36.8 77.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.373 -0.83 . . . . 0.0 109.492 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -61.41 -40.4 94.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.267 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -63.15 -42.92 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.19 -40.5 64.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.41 -0.806 . . . . 0.0 108.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -103.21 38.6 1.73 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.559 -0.713 . . . . 0.0 109.142 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 p -63.36 158.85 19.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.319 -0.863 . . . . 0.0 110.127 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.462 ' OE1' ' O ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -108.44 124.17 49.99 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.649 0.738 . . . . 0.0 109.455 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 39' ' ' GLU . 34.0 p 49.0 176.15 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.538 0.685 . . . . 0.0 110.722 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.98 131.28 23.53 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.465 -0.772 . . . . 0.0 109.262 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.19 144.27 13.03 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.006 1.804 . . . . 0.0 113.571 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.25 -30.44 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.636 -0.665 . . . . 0.0 109.526 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.25 -33.29 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.207 -0.933 . . . . 0.0 109.384 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.38 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.893 . . . . 0.0 109.253 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.82 -37.04 82.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 108.984 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.59 -40.03 78.11 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.67 -43.2 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.242 -0.911 . . . . 0.0 108.729 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.1 72.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.469 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.61 -47.77 83.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.297 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 2.6 mm? -64.04 -41.15 97.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.813 . . . . 0.0 109.26 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HE ' HD21 ' A' ' 58' ' ' LEU . 34.5 ttm180 -61.72 -41.35 97.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.293 -0.88 . . . . 0.0 108.939 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 t -56.24 -19.75 15.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.13 4.72 53.34 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.151 -0.968 . . . . 0.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 22.54 59.34 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.68 132.81 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.462 -1.022 . . . . 0.0 109.436 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -78.32 76.14 4.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.598 -0.689 . . . . 0.0 110.094 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.402 HD21 ' HE ' ' A' ' 52' ' ' ARG . 2.3 pp -90.54 -18.63 24.92 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 8.8 p-10 -61.24 -42.66 99.0 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.14 77.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.486 -0.759 . . . . 0.0 109.304 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.456 -0.778 . . . . 0.0 109.315 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -70.48 -34.47 72.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.271 -0.893 . . . . 0.0 109.718 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 29.6 t70 -59.81 -35.03 73.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.403 -0.811 . . . . 0.0 110.03 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -70.0 -38.21 75.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.971 -1.081 . . . . 0.0 109.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.6 mt -79.09 -74.46 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.337 -0.852 . . . . 0.0 110.898 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CD1' ' O ' ' A' ' 63' ' ' ASP . 33.4 mt 48.32 -119.9 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.316 -0.865 . . . . 0.0 109.256 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.9 t -118.21 133.74 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.509 -0.744 . . . . 0.0 109.844 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 m120 56.82 168.9 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.626 0.727 . . . . 0.0 110.558 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -81.79 157.15 24.58 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.657 0.741 . . . . 0.0 110.499 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' GLU . 69.1 mt -50.73 158.46 0.65 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.879 0.847 . . . . 0.0 110.642 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.498 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -52.39 -172.41 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.737 0.779 . . . . 0.0 110.186 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.405 ' CD2' ' H ' ' A' ' 72' ' ' HIS . 45.4 m-70 -47.31 93.62 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 71' ' ' GLU . 30.8 t60 -68.63 135.1 50.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.49 -0.756 . . . . 0.0 110.001 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -78.3 151.58 32.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.493 -0.755 . . . . 0.0 109.535 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.67 128.59 34.5 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.343 -0.848 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -100.25 122.57 43.27 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.339 -0.851 . . . . 0.0 109.978 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.3 t60 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.579 179.316 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -72.98 150.11 42.74 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.553 -0.717 . . . . 0.0 110.176 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.01 -43.97 97.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 0.0 109.362 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t -59.41 -34.09 72.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.578 -0.701 . . . . 0.0 109.636 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -60.24 -36.75 78.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.384 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -77.6 -31.2 52.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.769 -1.207 . . . . 0.0 110.313 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.61 -45.16 95.05 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.018 -1.051 . . . . 0.0 109.99 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -72.96 -38.49 66.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.79 -51.2 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.349 -0.845 . . . . 0.0 109.997 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.689 -1.257 . . . . 0.0 109.04 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -62.14 -50.0 73.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.373 -0.83 . . . . 0.0 109.083 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.06 -43.68 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.836 -0.54 . . . . 0.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -61.77 -40.55 95.59 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.11 -0.994 . . . . 0.0 109.579 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.3 mt -85.84 -4.93 59.29 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.6 m 38.48 47.19 1.05 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.292 0.568 . . . . 0.0 110.136 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' B' ' 11' ' ' ARG . 2.4 pp -85.0 162.85 19.21 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 109.606 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -90.69 123.96 34.71 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.298 -0.876 . . . . 0.0 110.292 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.71 78.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.616 -0.678 . . . . 0.0 109.68 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.635 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 23.7 mtpp -60.04 -44.73 94.45 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.6 m -62.16 -41.2 98.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.376 -0.827 . . . . 0.0 109.655 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.406 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 77.5 t -60.98 -48.54 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.889 . . . . 0.0 110.015 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.17 72.06 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.296 -0.878 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -69.74 -55.09 10.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 110.575 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.02 -38.02 78.99 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.135 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.406 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 74.2 mtp -63.58 -38.88 92.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.968 -1.083 . . . . 0.0 109.476 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.97 25.84 13.82 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -123.73 161.0 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.546 -0.973 . . . . 0.0 109.544 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 p -75.08 160.0 31.02 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.814 0.816 . . . . 0.0 110.374 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.635 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 6.6 mtm180 -64.49 -34.14 77.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -52.85 -46.44 67.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -0.869 . . . . 0.0 109.138 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.49 -40.91 76.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.61 -45.34 93.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.12 -34.58 77.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.374 -0.829 . . . . 0.0 109.331 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.83 -39.98 91.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.442 -0.786 . . . . 0.0 108.899 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.0 -42.86 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.442 -0.786 . . . . 0.0 109.387 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -58.09 -43.66 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.919 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 16.0 pt20 -96.32 34.92 1.53 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.194 -0.941 . . . . 0.0 109.141 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -70.39 134.0 47.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 110.015 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.432 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.15 -70.99 0.66 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.549 -0.719 . . . . 0.0 109.402 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 5.2 t -104.97 131.34 52.61 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.523 -0.736 . . . . 0.0 109.271 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.82 150.25 47.63 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.454 -0.779 . . . . 0.0 109.611 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -67.64 155.49 69.9 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.668 2.245 . . . . 0.0 112.927 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.48 -30.08 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.619 -0.675 . . . . 0.0 110.333 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 12.0 p -47.42 -35.13 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 109.319 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.72 -47.03 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 108.806 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -64.2 -36.79 85.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.022 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -57.82 -41.78 82.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -42.91 97.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.36 77.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.523 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 16.9 t80 -59.78 -48.14 82.87 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.66 -38.06 86.06 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -54.89 -42.35 72.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.396 -0.815 . . . . 0.0 108.996 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 93.3 p -58.12 -30.48 66.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.511 -0.743 . . . . 0.0 109.538 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.523 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 58.7 mttp -85.02 -3.72 58.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.223 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.91 29.66 58.75 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 120.005 -1.093 . . . . 0.0 110.936 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.66 140.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.929 -1.336 . . . . 0.0 109.222 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.61 54.13 0.06 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.707 -0.621 . . . . 0.0 111.952 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.69 -39.08 90.91 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.967 -1.083 . . . . 0.0 109.314 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -52.93 -44.91 67.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.38 79.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.713 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.224 -0.922 . . . . 0.0 109.549 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' B' ' 65' ' ' ILE . 18.1 m-85 -68.36 -45.09 73.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.665 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -53.92 -30.73 47.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 109.628 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.07 -20.74 55.41 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' B' ' 62' ' ' PHE . 96.7 mt -96.42 -26.7 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.643 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.54 -43.65 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.074 -1.016 . . . . 0.0 109.738 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 t -74.7 -123.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.905 . . . . 0.0 109.684 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.579 ' C ' HD21 ' B' ' 68' ' ' ASN . 0.1 OUTLIER -171.16 -167.47 0.55 Allowed 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.291 -0.88 . . . . 0.0 109.527 -179.734 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.402 ' C ' ' OE2' ' B' ' 71' ' ' GLU . 72.2 mmtt -87.45 34.52 0.7 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.46 -0.775 . . . . 0.0 109.655 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.508 ' H ' ' ND2' ' B' ' 68' ' ' ASN . 3.9 tt -118.05 113.3 21.42 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.581 -0.699 . . . . 0.0 109.273 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.402 ' OE2' ' C ' ' B' ' 69' ' ' LYS . 0.4 OUTLIER -166.18 31.31 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 56.19 55.61 6.59 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.366 0.603 . . . . 0.0 109.494 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.585 ' C ' ' H ' ' B' ' 75' ' ' HIS . 26.8 t-80 -64.93 -39.95 94.3 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' B' ' 75' ' ' HIS . 59.9 m-70 53.63 2.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.884 -0.51 . . . . 0.0 110.098 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.585 ' H ' ' C ' ' B' ' 73' ' ' HIS . 5.7 t-80 36.21 78.97 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.758 -0.589 . . . . 0.0 110.353 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' B' ' 76' ' ' HIS . 0.2 OUTLIER -88.66 145.27 25.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.137 -0.977 . . . . 0.0 109.465 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.438 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mmm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -64.73 -176.13 0.23 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.572 -0.705 . . . . 0.0 109.893 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.2 -44.0 96.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t -66.32 -28.25 68.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.296 -0.877 . . . . 0.0 110.493 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.423 ' ND2' ' C ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -62.88 -48.07 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 0.0 110.215 -179.097 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.43 -31.34 71.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.59 -37.81 85.25 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -71.41 -34.26 70.17 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.055 -1.028 . . . . 0.0 110.008 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.01 -49.07 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.235 -0.916 . . . . 0.0 110.517 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.53 -38.97 85.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.243 -0.911 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 23.6 tpt85 -58.86 -48.02 82.85 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 HD12 HG22 ' A' ' 12' ' ' ILE . 93.9 mt -66.83 -41.97 88.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.649 -0.657 . . . . 0.0 109.474 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -52.5 -44.89 65.95 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.416 -0.802 . . . . 0.0 109.836 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.4 -1.88 58.23 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 108.609 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.4 p 43.02 51.41 5.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.67 -0.643 . . . . 0.0 109.39 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 64.5 mt -80.83 174.1 11.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.47 -0.769 . . . . 0.0 110.216 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -109.17 123.21 48.85 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.617 0.723 . . . . 0.0 109.799 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.7 86.97 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.537 -0.727 . . . . 0.0 109.179 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.97 -42.8 99.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.556 -0.715 . . . . 0.0 109.557 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 t -60.83 -43.88 97.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.321 -0.862 . . . . 0.0 109.686 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.26 -43.4 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 0.0 109.351 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.3 73.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -65.32 -42.89 92.49 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.122 -0.987 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.77 -44.3 61.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 109.423 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 72.3 mmm -64.7 -38.93 92.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.739 -0.6 . . . . 0.0 109.551 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.76 19.7 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -123.69 165.74 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 121.525 -0.985 . . . . 0.0 109.968 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.0 m -67.24 150.94 48.39 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.528 -0.732 . . . . 0.0 110.386 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -61.4 -41.01 96.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.67 -39.68 81.35 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.301 -0.874 . . . . 0.0 109.236 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.79 -45.95 88.7 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.336 -0.853 . . . . 0.0 108.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.86 -41.54 97.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.316 -0.865 . . . . 0.0 109.161 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.01 -33.06 73.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.578 -0.701 . . . . 0.0 109.367 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 38' ' ' SER . 27.9 t-20 -62.23 -38.15 88.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.407 -0.808 . . . . 0.0 109.048 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -43.93 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.432 -0.793 . . . . 0.0 109.052 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.09 -31.74 73.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.374 -0.828 . . . . 0.0 109.402 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -100.12 1.46 42.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.855 . . . . 0.0 109.196 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' ASN . 26.4 t -67.11 150.69 48.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.775 . . . . 0.0 110.472 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CG ' ' H ' ' A' ' 40' ' ' THR . 36.8 tt0 -60.34 -127.62 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.414 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.424 ' H ' ' CG ' ' A' ' 39' ' ' GLU . 16.6 p -83.01 169.59 15.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.474 -0.766 . . . . 0.0 110.37 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.1 152.02 95.88 Favored Pre-proline 0 C--N 1.302 -1.462 0 O-C-N 121.408 -0.808 . . . . 0.0 109.721 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.43 156.68 65.16 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.809 2.339 . . . . 0.0 112.655 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.53 -33.48 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.434 -0.791 . . . . 0.0 110.085 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -49.03 -36.69 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.234 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.45 -44.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.0 108.938 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.57 -36.55 84.16 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.323 -0.86 . . . . 0.0 109.034 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' OH ' ' NE ' ' B' ' 11' ' ' ARG . 8.7 t80 -58.22 -42.51 86.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.54 -43.11 98.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.41 74.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.273 -0.892 . . . . 0.0 109.357 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -61.06 -50.18 74.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.161 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -67.39 -41.44 84.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.324 -0.86 . . . . 0.0 109.72 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -64.5 -42.38 95.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.2 m -58.6 -20.4 46.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.455 -0.778 . . . . 0.0 109.685 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -89.52 10.68 21.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.114 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.486 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 79.66 19.26 71.29 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 51' ' ' LEU . 82.6 t -69.63 -43.3 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.077 -1.249 . . . . 0.0 109.593 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 55' ' ' GLY . 2.0 m-20 60.75 97.71 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 121.572 0.701 . . . . 0.0 109.948 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.432 HD11 ' H ' ' A' ' 58' ' ' LEU . 2.2 mp -90.92 -2.22 57.75 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -55.52 -39.61 70.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.29 67.96 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.616 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.95 -42.94 99.69 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 110.137 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.83 -36.23 83.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.47 -0.769 . . . . 0.0 109.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.71 -31.55 71.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -58.83 -49.7 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.177 -0.952 . . . . 0.0 109.386 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -67.22 -43.62 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.583 ' C ' ' H ' ' A' ' 68' ' ' ASN . 96.3 mt -71.44 167.39 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.553 -0.717 . . . . 0.0 109.993 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.523 ' C ' HD21 ' A' ' 68' ' ' ASN . 14.5 p -67.8 34.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.343 -0.848 . . . . 0.0 110.039 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.834 ' N ' HD21 ' A' ' 68' ' ' ASN . 0.3 OUTLIER 67.25 -50.99 0.49 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.926 -0.484 . . . . 0.0 110.159 179.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.6 tttm 63.74 -13.07 0.09 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 109.426 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.63 ' H ' ' C ' ' A' ' 68' ' ' ASN . 51.9 tp -100.71 127.76 47.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.243 -0.911 . . . . 0.0 109.407 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.5 53.55 0.55 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.526 -0.734 . . . . 0.0 109.55 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 52.19 -104.55 0.19 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.296 -0.877 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.527 ' O ' ' ND1' ' A' ' 74' ' ' HIS . 2.2 t-80 59.68 46.41 11.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.729 -0.607 . . . . 0.0 109.533 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 73' ' ' HIS . 2.2 m-70 -132.23 91.64 2.98 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.368 -0.832 . . . . 0.0 109.031 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -68.85 -88.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -0.82 . . . . 0.0 109.56 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -169.24 72.63 0.08 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.766 -179.106 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 5' ' ' ASN . 0.7 OUTLIER 72.27 -131.5 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.744 -0.598 . . . . 0.0 110.477 178.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' B' ' 2' ' ' GLU . 20.1 mt -40.8 -40.41 1.34 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.991 -1.068 . . . . 0.0 109.595 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.9 m -61.61 -38.49 87.82 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.308 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 2' ' ' GLU . 13.1 t30 -60.09 -46.56 89.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.159 -0.963 . . . . 0.0 110.144 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' B' ' 10' ' ' GLU . 96.5 mt-10 -53.71 -54.01 44.01 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.09 -1.006 . . . . 0.0 109.642 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' B' ' 7' ' ' LEU . 9.8 mp -62.46 -38.74 90.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.403 -0.811 . . . . 0.0 109.841 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.605 ' HZ3' ' CG1' ' B' ' 12' ' ' ILE . 3.5 tmtt? -63.92 -39.89 95.22 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.121 -0.987 . . . . 0.0 109.174 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' B' ' 10' ' ' GLU . 41.4 t -56.49 -67.47 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.099 -1.001 . . . . 0.0 109.312 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -40.5 -44.37 2.04 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.79 -0.569 . . . . 0.0 109.974 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' SER . 7.1 tpp85 -54.8 -44.95 74.25 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.188 -0.945 . . . . 0.0 108.664 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.605 ' CG1' ' HZ3' ' B' ' 8' ' ' LYS . 97.0 mt -65.72 -43.33 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.653 -0.654 . . . . 0.0 109.568 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -59.24 -46.06 89.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.346 -0.846 . . . . 0.0 110.449 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.2 mt -95.81 -0.54 51.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.094 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' ARG . 34.8 t 38.41 60.29 1.33 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 109.826 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 60.1 mt -85.46 156.88 20.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.55 -0.719 . . . . 0.0 109.89 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -101.37 135.16 43.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.433 -0.792 . . . . 0.0 110.147 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.02 78.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.554 -0.716 . . . . 0.0 109.553 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.442 ' HZ1' ' NH1' ' B' ' 29' ' ' ARG . 64.4 mttp -62.13 -42.81 99.61 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.386 -0.821 . . . . 0.0 109.882 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' ' OE1' ' B' ' 24' ' ' GLU . 11.7 t -61.73 -46.13 90.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.196 -0.94 . . . . 0.0 109.987 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.74 -45.83 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.195 -0.94 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.05 70.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.393 -0.817 . . . . 0.0 109.285 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -69.24 -34.94 75.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.318 -0.864 . . . . 0.0 109.49 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' B' ' 20' ' ' SER . 4.9 mp0 -68.31 -67.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.336 -0.853 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.1 mtm -65.44 -39.5 92.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.991 . . . . 0.0 109.66 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 48.75 3.11 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -120.8 161.56 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.509 -0.994 . . . . 0.0 109.687 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -67.14 150.17 49.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.676 0.751 . . . . 0.0 110.376 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.442 ' NH1' ' HZ1' ' B' ' 19' ' ' LYS . 76.1 mtp180 -62.4 -34.7 77.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.245 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.01 -43.02 77.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.5 -48.92 73.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.283 -0.886 . . . . 0.0 109.618 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.72 -43.48 96.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.0 109.924 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.2 -33.23 74.16 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.382 -0.824 . . . . 0.0 109.524 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' B' ' 38' ' ' SER . 41.0 t-20 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.405 HG22 HD12 ' B' ' 35' ' ' ILE . 95.8 mt -62.35 -42.93 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 0.0 109.179 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.05 -34.76 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -113.45 17.12 18.64 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.4 -0.813 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 34' ' ' ASN . 3.6 m -67.14 148.02 52.36 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.221 -0.925 . . . . 0.0 109.844 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 40' ' ' THR . 29.6 mp0 -89.8 108.02 19.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.507 -0.746 . . . . 0.0 109.574 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' B' ' 41' ' ' ALA . 64.0 m 55.38 163.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.502 0.668 . . . . 0.0 110.61 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.452 ' N ' ' CG2' ' B' ' 40' ' ' THR . . . -85.94 153.33 57.39 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.553 -0.717 . . . . 0.0 109.774 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.3 161.31 46.39 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.905 2.404 . . . . 0.0 112.991 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m -57.74 -18.25 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.493 -0.754 . . . . 0.0 109.684 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.07 -44.88 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.131 -0.98 . . . . 0.0 109.254 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.41 -46.81 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.296 -0.877 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.65 -38.06 89.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.483 -0.76 . . . . 0.0 109.395 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -57.65 -41.04 80.67 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.99 -44.02 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -34.12 68.95 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -61.78 -48.04 82.43 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 108.68 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.92 -42.35 97.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -0.774 . . . . 0.0 109.561 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -64.29 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.343 -0.848 . . . . 0.0 109.216 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -59.05 -17.79 28.9 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.493 -0.754 . . . . 0.0 109.528 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -97.38 2.92 51.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -0.844 . . . . 0.0 108.837 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.07 23.72 63.07 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.698 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.25 -18.91 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.07 -1.253 . . . . 0.0 109.155 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 59' ' ' ASN . 80.4 m-20 59.25 51.46 6.84 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.29 -0.8 0.4 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.576 -0.703 . . . . 0.0 109.484 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' B' ' 57' ' ' ASP . 3.4 m120 -62.0 -40.98 97.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.375 -0.828 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.78 87.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.0 110.213 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tp -61.98 -46.51 88.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.922 . . . . 0.0 109.702 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.06 -45.97 86.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.224 -0.922 . . . . 0.0 109.336 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' B' ' 67' ' ' VAL . 28.4 t70 -61.82 -33.15 73.63 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -50.63 71.62 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.109 -0.994 . . . . 0.0 108.617 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.428 HD13 HG22 ' B' ' 65' ' ' ILE . 96.8 mt -68.43 -44.13 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.237 -0.914 . . . . 0.0 109.508 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' B' ' 68' ' ' ASN . 95.6 mt -74.55 -17.09 16.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.519 -0.738 . . . . 0.0 109.703 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 63' ' ' ASP . 3.4 t 63.52 -69.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.669 -0.644 . . . . 0.0 109.268 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 66' ' ' ILE . 5.8 t-20 64.33 136.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.648 -0.658 . . . . 0.0 109.985 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.41 78.56 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 109.04 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 68' ' ' ASN . 4.9 tp -86.55 -6.09 58.98 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.597 -0.689 . . . . 0.0 109.181 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 52.77 -110.49 0.53 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 108.957 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -171.84 43.61 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.093 -1.004 . . . . 0.0 108.778 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -65.23 -33.64 76.47 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -84.7 96.28 9.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.162 -0.961 . . . . 0.0 109.908 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -88.67 -48.94 7.17 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -164.78 132.65 3.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 109.418 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.98 179.722 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.38 172.08 13.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.242 -0.911 . . . . 0.0 110.143 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.13 -45.24 94.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.388 -0.82 . . . . 0.0 109.739 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 t -65.14 -33.9 77.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.447 ' C ' HD21 ' A' ' 5' ' ' ASN . 0.4 OUTLIER -59.35 -46.94 87.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.092 -1.005 . . . . 0.0 109.514 -179.144 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.7 -31.64 68.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.069 -1.019 . . . . 0.0 108.962 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.52 -43.45 98.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -62.69 -39.54 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.32 -43.45 93.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.16 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.75 -50.69 67.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.995 -1.066 . . . . 0.0 109.294 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.4 ttp180 -61.56 -41.82 97.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 109.041 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.45 -44.07 98.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.947 -1.096 . . . . 0.0 109.466 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.44 -44.68 96.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.17 -0.956 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.7 mt -92.28 -0.58 57.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.117 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' ARG . 4.5 p 40.7 46.76 2.31 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.677 -0.64 . . . . 0.0 109.327 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 tp -79.97 157.0 26.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.438 -0.789 . . . . 0.0 110.025 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -101.9 137.52 40.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.449 -0.782 . . . . 0.0 110.343 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.51 87.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.595 -0.691 . . . . 0.0 109.797 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.64 -43.62 98.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 109.722 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -60.61 -45.41 94.13 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.163 -0.96 . . . . 0.0 109.886 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.419 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 73.7 t -66.35 -43.83 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 110.215 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.62 72.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 110.533 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.41 -46.4 66.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.041 -1.037 . . . . 0.0 110.701 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.36 -48.66 80.81 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.168 -0.958 . . . . 0.0 109.697 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.419 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 81.0 mtp -62.78 -38.61 91.31 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.078 -1.013 . . . . 0.0 109.985 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.37 19.14 9.06 Favored Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 pt -123.83 162.97 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.723 -0.869 . . . . 0.0 109.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 165.46 22.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.642 0.734 . . . . 0.0 110.427 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -63.19 -35.57 80.74 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.72 -42.38 97.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.459 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.91 -42.33 94.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.586 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.56 -41.08 98.44 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 109.242 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.53 -33.11 72.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.488 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.78 -42.08 96.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.24 -0.913 . . . . 0.0 108.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.33 -44.43 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 109.093 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' NH2' ' A' ' 11' ' ' ARG . 35.3 tt0 -58.8 -22.49 58.5 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -90.95 15.26 11.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -60.0 141.6 55.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.522 -0.737 . . . . 0.0 109.847 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -125.9 -60.25 1.3 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.0 m -116.41 127.48 54.66 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.37 151.42 46.31 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 121.075 -1.016 . . . . 0.0 111.57 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.89 151.72 62.85 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.946 2.431 . . . . 0.0 112.852 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -63.32 -10.3 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.509 -0.744 . . . . 0.0 109.636 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.46 -43.69 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.14 -45.44 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.315 -0.866 . . . . 0.0 109.609 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' B' ' 65' ' ' ILE . 67.7 mttm -62.65 -40.46 97.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.754 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.12 -39.55 82.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 0.0 108.913 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.14 -43.17 97.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.95 74.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.37 -0.831 . . . . 0.0 109.053 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.26 -49.33 78.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.253 -0.904 . . . . 0.0 108.945 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.28 -39.61 68.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.457 -0.777 . . . . 0.0 109.9 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.41 -41.79 90.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 m -58.61 -22.27 55.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.441 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.46 3.33 55.22 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.278 -0.889 . . . . 0.0 109.312 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 20.86 59.41 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 132.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.984 -1.304 . . . . 0.0 109.03 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 3.4 m-20 -71.38 105.11 3.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.491 -0.756 . . . . 0.0 110.762 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 pp -90.5 -17.08 27.7 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 1.7 p30 -63.05 -41.29 99.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.539 0.685 . . . . 0.0 109.226 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.3 79.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.328 -0.858 . . . . 0.0 109.782 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.14 -40.97 97.73 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.487 -0.758 . . . . 0.0 109.637 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.16 -41.1 70.83 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.044 -1.035 . . . . 0.0 109.764 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -52.43 -40.92 62.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.08 -1.012 . . . . 0.0 108.98 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' NH1' ' OE1' ' B' ' 6' ' ' GLU . 0.2 OUTLIER -68.63 -37.46 79.75 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.115 -0.991 . . . . 0.0 108.605 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt -74.75 -69.49 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.322 -0.861 . . . . 0.0 110.314 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.7 pt -74.83 150.22 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.231 -0.918 . . . . 0.0 110.577 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 t 63.45 111.8 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 CA-C-O 121.486 0.66 . . . . 0.0 109.768 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.72 145.11 47.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.463 -0.773 . . . . 0.0 109.974 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.56 ' C ' ' H ' ' A' ' 71' ' ' GLU . 70.9 mmtt -100.39 16.42 24.56 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.82 11.56 0.37 Allowed 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.56 ' H ' ' C ' ' A' ' 69' ' ' LYS . 37.4 mt-10 -42.87 142.36 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.65 -0.656 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 9.0 p80 -96.43 63.53 2.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.519 -0.738 . . . . 0.0 109.215 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 75' ' ' HIS . 3.1 m80 -75.24 -3.55 33.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.457 -0.777 . . . . 0.0 109.138 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 47.96 -89.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.456 -0.778 . . . . 0.0 109.918 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.614 ' CD2' ' H ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -55.07 94.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.454 -0.779 . . . . 0.0 109.554 -179.04 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.655 ' CD2' ' H ' ' A' ' 77' ' ' HIS . 13.1 t-160 -162.72 159.77 24.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.835 . . . . 0.0 109.437 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.655 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 4.0 t-80 . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.256 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -76.45 166.83 22.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.336 -0.853 . . . . 0.0 110.676 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.38 -44.33 96.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.469 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 36' ' ' GLU . 5.1 t -67.53 -33.16 74.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.29 -0.881 . . . . 0.0 109.95 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.95 -47.25 86.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.521 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 44.3 mt-10 -73.85 -34.75 64.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.128 -0.982 . . . . 0.0 109.958 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.49 -45.72 93.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.981 . . . . 0.0 109.452 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.99 -43.17 93.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.677 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.0 109.899 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.55 -34.21 70.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.136 -0.978 . . . . 0.0 108.485 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -60.85 -45.34 94.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 108.453 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.409 HG21 HD12 ' B' ' 12' ' ' ILE . 98.0 mt -63.07 -43.12 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.476 -0.765 . . . . 0.0 109.717 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -59.49 -41.03 88.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.0 109.374 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.41 0.2 57.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.317 -0.865 . . . . 0.0 108.977 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p 43.77 64.48 1.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 109.812 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -112.08 147.84 35.18 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.236 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.429 ' OG1' ' OG ' ' B' ' 20' ' ' SER . 14.4 p -100.12 140.16 34.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.493 -0.754 . . . . 0.0 109.876 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.82 91.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.445 -0.784 . . . . 0.0 109.645 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.308 -0.87 . . . . 0.0 109.835 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.429 ' OG ' ' OG1' ' B' ' 17' ' ' THR . 58.2 m -59.95 -45.21 93.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 110.219 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.2 -46.67 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.06 -1.025 . . . . 0.0 109.798 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.78 82.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.272 -0.893 . . . . 0.0 109.911 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -63.77 -54.21 38.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.262 -0.899 . . . . 0.0 110.287 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.83 -40.64 91.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.186 -0.946 . . . . 0.0 109.03 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 62.7 mmm -62.98 -38.91 93.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.586 -0.696 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.9 8.06 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.65 162.66 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.55 -0.971 . . . . 0.0 109.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -65.44 148.2 52.12 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.658 0.742 . . . . 0.0 110.303 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -61.44 -40.8 95.8 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.09 -37.69 86.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.78 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -61.37 -41.56 97.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.032 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.29 -39.84 94.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.262 -0.899 . . . . 0.0 109.024 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -58.86 -33.2 70.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.409 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -62.93 -39.71 95.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.902 -1.124 . . . . 0.0 109.029 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.1 -45.33 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.871 . . . . 0.0 110.836 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' B' ' 4' ' ' SER . 14.5 pt-20 -81.55 -12.41 58.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 109.874 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -104.18 18.71 21.53 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -66.07 158.37 28.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.499 -0.751 . . . . 0.0 109.932 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -116.14 -49.76 2.68 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.766 -0.584 . . . . 0.0 109.773 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -121.19 130.75 53.85 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 109.065 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 146.18 58.32 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.238 -0.913 . . . . 0.0 109.554 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.16 152.6 67.3 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.374 2.049 . . . . 0.0 112.607 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 11.1 m -65.63 -31.06 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.452 -0.78 . . . . 0.0 110.192 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -44.11 -36.79 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.423 -0.798 . . . . 0.0 109.846 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 93.0 t -62.58 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.353 -0.842 . . . . 0.0 109.154 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.86 -44.81 96.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.831 . . . . 0.0 109.311 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.43 -43.29 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.0 109.271 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.86 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.297 -0.877 . . . . 0.0 109.064 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.66 -45.37 94.37 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.16 -40.88 98.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.307 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -63.56 -36.68 84.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.327 -0.858 . . . . 0.0 109.474 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.4 m -56.8 -34.52 67.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.324 -0.86 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.23 -0.11 56.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.532 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.11 25.32 71.47 Favored Glycine 0 N--CA 1.493 2.446 0 C-N-CA 119.901 -1.142 . . . . 0.0 110.295 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 58' ' ' LEU . 40.7 t -54.58 144.86 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.082 -1.246 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.87 70.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.9 tp -89.23 -10.94 45.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 108.796 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -62.39 -42.33 99.34 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.35 88.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.669 -0.644 . . . . 0.0 110.394 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.24 -44.34 97.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.14 -0.975 . . . . 0.0 109.402 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.92 -43.15 84.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.004 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.53 -45.71 18.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.287 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -71.45 -41.66 69.16 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.226 -0.921 . . . . 0.0 110.292 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 96.9 mt -63.95 -43.61 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.779 -1.201 . . . . 0.0 109.882 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' B' ' 67' ' ' VAL . 94.5 mt -60.26 85.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.312 -0.868 . . . . 0.0 110.094 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' B' ' 66' ' ' ILE . 4.9 t 58.37 139.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.629 0.728 . . . . 0.0 110.552 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.22 131.95 35.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.319 -0.863 . . . . 0.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -74.94 136.74 41.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.531 -0.73 . . . . 0.0 109.515 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' B' ' 71' ' ' GLU . 95.7 mt -130.68 -91.79 0.43 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.633 -0.667 . . . . 0.0 109.374 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER 32.24 -150.8 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 121.188 0.518 . . . . 0.0 110.485 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -104.62 -80.39 0.54 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.391 -0.818 . . . . 0.0 109.192 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 49.1 67.09 0.93 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.672 ' CG ' ' H ' ' B' ' 75' ' ' HIS . 7.0 t60 -85.1 -165.84 1.33 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.407 -0.808 . . . . 0.0 109.902 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.672 ' H ' ' CG ' ' B' ' 74' ' ' HIS . 29.4 m80 52.19 10.36 0.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.303 -0.873 . . . . 0.0 109.016 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.635 ' CG ' ' N ' ' B' ' 77' ' ' HIS . 0.6 OUTLIER -63.67 -133.94 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.368 -0.833 . . . . 0.0 110.13 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.635 ' N ' ' CG ' ' B' ' 76' ' ' HIS . 29.0 t-80 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 ttp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.302 0.572 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 56.85 102.15 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.8 -41.19 99.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.898 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.509 ' HG ' ' N ' ' A' ' 5' ' ' ASN . 78.1 p -60.61 -42.02 95.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 110.279 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.509 ' N ' ' HG ' ' A' ' 4' ' ' SER . 52.1 t30 -66.81 -49.66 65.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -59.24 -45.29 91.55 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.4 tp -63.04 -42.35 99.72 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.86 -36.37 83.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.498 -0.751 . . . . 0.0 109.538 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t -60.98 -45.91 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.201 -0.937 . . . . 0.0 109.462 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -67.25 -36.99 82.75 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.066 -1.021 . . . . 0.0 108.756 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' A' ' 36' ' ' GLU . 8.8 ttt85 -58.93 -44.36 91.35 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.37 -41.78 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -54.21 -45.54 72.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.533 -0.729 . . . . 0.0 109.412 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -95.88 -2.06 48.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.197 -0.94 . . . . 0.0 108.615 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p 44.33 79.6 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.545 -0.722 . . . . 0.0 109.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.62 157.62 17.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 p -98.36 128.5 44.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.4 -0.812 . . . . 0.0 109.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.85 85.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.95 -46.56 87.16 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.235 -0.915 . . . . 0.0 110.033 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -64.05 -45.16 90.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 0.0 109.916 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 61.3 t -63.85 -45.65 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 110.14 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.37 90.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -46.6 79.22 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.002 -1.061 . . . . 0.0 109.632 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.3 -44.05 69.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.319 -0.863 . . . . 0.0 109.641 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 76.6 mtp -65.42 -38.89 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 0.0 109.685 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.93 30.29 13.34 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -125.31 164.98 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.649 -0.912 . . . . 0.0 109.527 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -72.43 153.17 41.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.304 -0.872 . . . . 0.0 110.097 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -63.06 -36.27 83.0 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.654 HE21 HD22 ' A' ' 34' ' ' ASN . 68.2 tp60 -61.92 -39.69 92.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.276 -0.89 . . . . 0.0 108.678 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -63.65 -44.65 93.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.42 -42.44 98.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.223 -0.923 . . . . 0.0 109.073 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.91 -34.88 78.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.294 -0.879 . . . . 0.0 109.682 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.654 HD22 HE21 ' A' ' 30' ' ' GLN . 12.4 m120 -62.22 -41.28 98.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 109.797 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.9 -44.85 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 109.797 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' A' ' 11' ' ' ARG . 40.0 tt0 -63.16 -22.88 67.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.191 -0.943 . . . . 0.0 108.992 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' O ' ' OG ' ' A' ' 38' ' ' SER . 77.4 mt-30 -93.22 -5.64 49.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.386 -0.821 . . . . 0.0 109.168 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 37' ' ' GLN . 8.7 m -174.75 119.7 0.22 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -0.88 . . . . 0.0 109.398 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -113.22 125.48 54.37 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.461 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.479 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 49.9 p -97.48 134.79 40.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.434 -0.791 . . . . 0.0 109.225 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.51 90.44 14.63 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.408 -0.808 . . . . 0.0 109.352 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.85 163.82 30.77 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.025 1.816 . . . . 0.0 112.736 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -58.41 -20.72 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.499 -0.751 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.06 -45.24 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 109.424 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.96 -45.68 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 109.689 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -62.93 -37.17 85.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 109.431 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' OH ' ' NH1' ' B' ' 11' ' ' ARG . 16.4 t80 -55.49 -43.86 76.0 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.23 -44.55 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.458 -0.776 . . . . 0.0 109.359 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.36 71.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.293 -0.879 . . . . 0.0 109.174 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -60.29 -45.39 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.4 -37.68 86.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.452 -0.78 . . . . 0.0 109.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 mtm105 -59.99 -32.92 71.3 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.326 -0.859 . . . . 0.0 109.604 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -54.31 -38.49 66.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.133 -0.98 . . . . 0.0 109.243 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' CD1' ' B' ' 16' ' ' LEU . 49.2 mtmt -84.57 -0.33 52.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.193 -0.942 . . . . 0.0 109.664 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.9 26.39 45.5 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.671 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.48 133.0 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.912 -1.346 . . . . 0.0 108.634 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -79.68 89.96 5.18 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.349 -0.844 . . . . 0.0 110.27 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.571 ' H ' ' CD2' ' A' ' 58' ' ' LEU . 1.7 pt? -87.44 -22.22 25.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.399 -0.813 . . . . 0.0 109.319 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -66.07 -40.57 90.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.84 . . . . 0.0 109.207 -179.388 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.97 72.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 0.0 110.039 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' CD1' ' OE2' ' B' ' 10' ' ' GLU . 93.7 mt -64.02 -44.27 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.133 -0.98 . . . . 0.0 109.406 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.47 -46.89 74.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.807 . . . . 0.0 110.208 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.881 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -65.75 -45.16 83.61 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' ILE . 92.2 mt -75.56 -71.95 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.391 -0.818 . . . . 0.0 111.584 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' ILE . 47.7 mm 41.29 66.53 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.403 -0.811 . . . . 0.0 109.489 -178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' NZ ' ' B' ' 46' ' ' LYS . 14.3 p -106.63 127.66 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.479 -0.763 . . . . 0.0 109.273 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.51 160.91 26.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 109.845 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -62.88 -43.86 97.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 109.387 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 71' ' ' GLU . 2.2 tt 40.05 69.07 0.33 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.654 -0.654 . . . . 0.0 109.821 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 70' ' ' LEU . 79.4 tt0 39.82 94.39 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.642 -0.662 . . . . 0.0 110.438 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -87.86 166.82 14.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.865 . . . . 0.0 109.179 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -140.67 100.23 3.81 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.243 -0.911 . . . . 0.0 109.103 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.507 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 15.2 p80 -79.67 -25.05 41.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.088 -1.008 . . . . 0.0 108.684 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 74' ' ' HIS . 9.8 p80 40.27 26.64 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.853 -0.53 . . . . 0.0 109.936 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.577 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -71.45 61.08 0.33 Allowed 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 122.219 1.009 . . . . 0.0 109.337 -179.274 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' HIS . 33.0 m-70 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.036 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.413 ' SD ' ' OE2' ' B' ' 6' ' ' GLU . 5.7 ttt . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -67.72 126.85 30.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.103 -0.998 . . . . 0.0 110.054 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.11 -40.93 95.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.409 -0.807 . . . . 0.0 109.86 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -57.76 -38.89 76.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 109.021 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.97 -39.86 91.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.457 -0.777 . . . . 0.0 109.341 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.413 ' OE2' ' SD ' ' B' ' 1' ' ' MET . 29.5 mm-40 -58.51 -43.42 89.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.72 -41.3 99.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 109.524 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -62.33 -36.6 82.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.919 -1.113 . . . . 0.0 109.28 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.34 -46.7 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.084 -1.01 . . . . 0.0 109.561 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.451 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 79.6 mt-10 -63.4 -37.73 88.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.992 -1.068 . . . . 0.0 109.323 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.424 ' NH1' ' OH ' ' A' ' 47' ' ' TYR . 7.0 tpt180 -60.03 -46.73 88.54 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.317 -0.865 . . . . 0.0 109.042 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -74.17 -35.01 39.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -58.3 -46.46 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.381 -0.824 . . . . 0.0 109.397 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.46 ' C ' ' HG ' ' B' ' 15' ' ' SER . 78.6 mt -97.77 -0.06 45.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 109.033 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.46 ' HG ' ' C ' ' B' ' 14' ' ' LEU . 5.0 p 41.54 68.51 0.44 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.593 -0.692 . . . . 0.0 109.81 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.444 ' CD1' ' NZ ' ' A' ' 54' ' ' LYS . 53.4 mt -79.02 155.92 28.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.394 -0.816 . . . . 0.0 109.401 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -97.36 140.45 31.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.219 -0.926 . . . . 0.0 109.894 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.39 83.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.22 -0.925 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.15 -45.57 94.1 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.295 -0.878 . . . . 0.0 109.852 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t -62.31 -51.55 67.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 110.397 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.0 -45.33 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.09 -1.006 . . . . 0.0 109.831 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.469 ' CB ' ' NH1' ' B' ' 29' ' ' ARG . . . -64.4 -35.77 81.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.287 -0.883 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.97 -52.71 63.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.032 -1.043 . . . . 0.0 110.585 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -69.15 -40.56 78.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.841 -1.162 . . . . 0.0 109.73 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 78.1 mmm -64.57 -39.31 93.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.421 -0.8 . . . . 0.0 109.595 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.32 30.86 23.9 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.32 163.56 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.546 -0.973 . . . . 0.0 109.554 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -73.05 163.73 27.73 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.332 -0.855 . . . . 0.0 109.979 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.469 ' NH1' ' CB ' ' B' ' 22' ' ' ALA . 71.1 mmt-85 -64.23 -36.84 85.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.42 -42.33 95.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.035 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -63.39 -44.79 93.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.57 -42.3 98.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.365 -0.834 . . . . 0.0 109.464 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . 0.59 ' SG ' ' NE2' ' B' ' 37' ' ' GLN . 0.5 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.278 -0.889 . . . . 0.0 109.521 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -62.34 -41.29 98.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.101 -0.999 . . . . 0.0 109.659 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.96 -48.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 109.692 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.56 -32.32 72.15 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.205 -0.935 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.59 ' NE2' ' SG ' ' B' ' 33' ' ' CYS . 53.1 mt-30 -86.88 -3.18 59.04 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.994 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -171.12 101.55 0.21 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.045 -1.034 . . . . 0.0 109.872 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.06 100.11 13.02 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.9 p -68.45 136.91 53.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 0.0 109.763 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.25 82.58 38.39 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 0.0 109.363 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.91 158.58 42.46 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.24 1.96 . . . . 0.0 112.679 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 m -50.27 -15.38 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.528 -0.733 . . . . 0.0 110.259 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.75 -45.71 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.081 -1.012 . . . . 0.0 109.054 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.84 -42.95 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -0.893 . . . . 0.0 108.845 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 67' ' ' VAL . 69.6 mmtt -60.0 -37.82 80.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.456 -0.778 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -48.51 81.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.153 -0.967 . . . . 0.0 108.863 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.417 HG23 HD11 ' B' ' 48' ' ' ILE . 65.1 mt -61.92 -43.0 96.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 109.525 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.446 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -51.35 -45.26 62.28 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.191 -0.943 . . . . 0.0 109.371 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' B' ' 53' ' ' SER . 41.5 t80 -60.14 -44.42 94.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.169 -0.957 . . . . 0.0 108.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.23 -37.91 87.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.305 -0.872 . . . . 0.0 109.108 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 69.3 mtm180 -60.06 -29.58 68.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 86.2 p -53.21 -33.79 54.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 108.844 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -95.4 -2.84 48.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.148 -0.97 . . . . 0.0 109.458 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.56 41.03 25.82 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' LEU . 76.9 t -65.84 134.57 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.255 . . . . 0.0 109.753 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -52.12 86.45 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.491 -0.755 . . . . 0.0 110.147 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 2.5 pp -90.7 -27.8 18.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 109.474 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -63.69 -44.78 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.926 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.417 ' O ' ' NH1' ' B' ' 64' ' ' ARG . . . -70.55 -38.32 74.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.278 -0.889 . . . . 0.0 109.646 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.18 -44.53 96.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.877 . . . . 0.0 109.596 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.74 -38.58 80.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.218 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.47 -47.82 78.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.906 -1.121 . . . . 0.0 110.66 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' B' ' 60' ' ' ALA . 54.4 mtt85 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.004 -1.06 . . . . 0.0 110.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' B' ' 66' ' ' ILE . 95.5 mt -63.8 -43.09 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.005 . . . . 0.0 111.148 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' B' ' 65' ' ' ILE . 86.0 mt -41.04 100.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.137 -0.977 . . . . 0.0 110.715 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' B' ' 68' ' ' ASN . 46.9 t -148.89 -15.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' B' ' 67' ' ' VAL . 3.3 m-20 76.1 142.82 0.08 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.456 0.646 . . . . 0.0 110.605 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -65.26 -40.76 94.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.593 -0.692 . . . . 0.0 109.654 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 50.1 mt 57.24 -159.79 0.24 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.542 -0.723 . . . . 0.0 110.03 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.68 120.57 31.07 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -125.22 -172.71 2.64 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.681 -0.637 . . . . 0.0 109.388 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -141.47 134.27 28.76 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.228 -0.92 . . . . 0.0 109.007 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.681 ' H ' ' CD2' ' B' ' 74' ' ' HIS . 1.3 p80 -84.0 136.65 33.97 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.854 -1.153 . . . . 0.0 108.178 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' B' ' 75' ' ' HIS . 1.3 m170 -78.89 -1.28 34.4 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.224 -0.922 . . . . 0.0 108.993 -178.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' B' ' 77' ' ' HIS . 23.0 m170 -48.46 176.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.488 -0.758 . . . . 0.0 110.043 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' B' ' 76' ' ' HIS . 10.5 m-70 . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.99 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ptp . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.461 0.648 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -82.4 173.0 12.43 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.396 -0.815 . . . . 0.0 109.055 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.41 -45.42 94.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.124 . . . . 0.0 109.861 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 t -75.13 -32.37 61.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.232 -0.918 . . . . 0.0 109.215 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.495 ' C ' HD21 ' A' ' 5' ' ' ASN . 0.2 OUTLIER -64.46 -46.59 82.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.498 -0.751 . . . . 0.0 109.616 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -71.7 -38.17 70.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.339 -0.851 . . . . 0.0 109.842 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.63 -41.34 98.97 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.231 -0.918 . . . . 0.0 108.817 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.79 -37.61 87.37 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.699 -0.625 . . . . 0.0 109.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.53 -44.27 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.132 -0.98 . . . . 0.0 108.784 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -55.96 -40.16 72.82 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.342 -0.849 . . . . 0.0 108.828 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.44 -49.68 76.61 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.199 -0.938 . . . . 0.0 108.827 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.02 -43.84 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.738 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -65.02 -41.12 95.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.404 -0.81 . . . . 0.0 109.748 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -84.26 -3.89 58.5 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 p 44.01 69.26 0.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.552 -0.717 . . . . 0.0 110.148 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.595 ' CD2' ' HZ3' ' B' ' 54' ' ' LYS . 91.6 mt -103.64 147.68 26.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.516 -0.74 . . . . 0.0 109.819 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.421 ' HG1' ' CB ' ' A' ' 20' ' ' SER . 37.1 p -98.34 131.74 44.39 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.538 0.685 . . . . 0.0 109.78 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -35.52 80.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.65 -47.08 85.27 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.755 . . . . 0.0 110.028 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.421 ' CB ' ' HG1' ' A' ' 17' ' ' THR . 46.4 t -60.11 -45.38 93.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 0.0 110.151 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.507 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 74.2 t -67.48 -42.76 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.928 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.86 85.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.281 -0.887 . . . . 0.0 110.382 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.15 -44.94 95.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.989 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.356 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 92.7 mtp -65.04 -38.25 90.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.393 -0.817 . . . . 0.0 109.695 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 31.36 7.8 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 pt -124.7 161.45 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.526 -0.985 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -76.04 162.38 28.09 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.229 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -62.84 -33.73 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.33 -40.48 93.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.307 -0.871 . . . . 0.0 109.54 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.08 -41.44 96.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.322 -0.861 . . . . 0.0 108.913 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.2 tp -64.65 -41.64 95.97 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.9 m -66.91 -32.87 74.42 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.536 -0.727 . . . . 0.0 109.9 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' O ' ' OG ' ' A' ' 38' ' ' SER . 72.0 m-20 -60.64 -43.71 97.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.0 109.924 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.86 -46.18 96.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 120.994 -1.066 . . . . 0.0 109.581 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -77.32 -6.14 52.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.323 -0.861 . . . . 0.0 109.691 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -107.86 -23.81 11.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.416 -0.803 . . . . 0.0 108.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 34' ' ' ASN . 14.5 m -82.9 -143.16 0.06 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.349 -0.844 . . . . 0.0 110.256 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.589 ' C ' ' H ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -87.73 -18.91 28.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.426 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.3 m 60.84 -5.11 0.11 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.72 -0.613 . . . . 0.0 109.81 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.589 ' H ' ' C ' ' A' ' 39' ' ' GLU . . . -131.01 84.95 56.45 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.44 -0.788 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.01 158.65 52.05 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.314 2.009 . . . . 0.0 112.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -56.2 -16.65 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.12 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -61.32 -42.52 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.65 -44.08 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.264 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.69 -39.85 90.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.283 -0.886 . . . . 0.0 109.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.34 -47.88 77.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.69 -43.45 98.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.693 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.49 94.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.691 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.423 ' O ' ' OG ' ' A' ' 53' ' ' SER . 44.5 t80 -62.77 -42.68 99.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.407 -0.808 . . . . 0.0 109.743 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.074 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.6 -35.97 77.42 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.435 -0.791 . . . . 0.0 109.6 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 65.1 p -55.56 -22.42 21.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 109.684 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -96.08 -4.27 43.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.077 -1.014 . . . . 0.0 108.841 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.62 28.28 22.21 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.73 135.03 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.127 -1.22 . . . . 0.0 110.261 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.456 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 38.0 p30 -74.92 100.1 4.02 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.874 0.845 . . . . 0.0 110.28 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.38 -15.15 29.42 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.671 ' N ' HD21 ' A' ' 59' ' ' ASN . 0.9 OUTLIER -60.44 -49.54 77.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.485 -0.76 . . . . 0.0 109.581 -179.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -43.2 97.09 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.35 -0.844 . . . . 0.0 110.012 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.19 -44.41 92.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.373 -0.829 . . . . 0.0 109.528 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.04 -43.66 70.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 63.9 m-20 -64.58 -32.36 73.97 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -47.5 70.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.09 -43.45 88.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.61 -0.681 . . . . 0.0 109.208 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' ASP . 61.3 mt -99.03 119.58 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.558 -0.714 . . . . 0.0 109.494 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.42 110.07 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.67 -0.644 . . . . 0.0 110.101 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.476 ' CG ' ' H ' ' A' ' 69' ' ' LYS . 58.2 t30 -142.27 -149.4 0.27 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.175 -0.953 . . . . 0.0 109.222 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' H ' ' CG ' ' A' ' 68' ' ' ASN . 63.1 tttp -63.7 131.33 47.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.317 -0.864 . . . . 0.0 110.456 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.9 tp -90.44 128.58 36.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.429 -0.794 . . . . 0.0 109.796 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -89.89 123.75 34.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.402 -0.811 . . . . 0.0 109.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -89.52 176.72 6.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.479 -0.763 . . . . 0.0 110.234 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 70.7 88.96 0.1 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.697 0.76 . . . . 0.0 109.824 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -92.05 161.68 14.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.643 -0.661 . . . . 0.0 109.694 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.477 ' CG ' ' H ' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -77.52 -129.95 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 72.1 m-70 40.03 45.4 1.62 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.562 0.696 . . . . 0.0 109.439 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 76' ' ' HIS . 19.8 p80 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.183 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.2 ttm . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -84.26 159.3 20.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.298 -0.876 . . . . 0.0 110.235 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 tt -51.09 -59.04 4.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.561 -0.712 . . . . 0.0 110.077 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.2 p -61.44 -33.03 73.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.894 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -64.6 -45.38 87.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 109.645 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -72.25 -38.32 68.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -0.938 . . . . 0.0 109.566 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.9 -43.62 98.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.385 -0.822 . . . . 0.0 109.496 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.92 -37.67 88.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.499 -0.75 . . . . 0.0 109.644 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 47.1 t -61.4 -44.3 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.787 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -64.75 -34.99 79.64 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.996 -1.065 . . . . 0.0 109.647 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.535 HH22 ' CD ' ' B' ' 36' ' ' GLU . 48.8 ttp180 -61.83 -38.87 89.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.278 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.46 -42.9 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 CA-C-O 121.434 0.635 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 33.2 mtp-105 -54.11 -43.06 70.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.383 -0.823 . . . . 0.0 109.289 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 84.4 mt -87.56 -4.81 58.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.857 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.0 m 47.56 77.89 0.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.624 -0.672 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.43 138.28 35.12 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.819 0.818 . . . . 0.0 109.778 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.443 ' H ' ' HG1' ' B' ' 17' ' ' THR . 11.8 p -92.05 138.49 31.49 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 109.683 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.25 82.62 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.554 -0.717 . . . . 0.0 109.508 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.66 -48.62 74.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -62.08 -45.01 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.39 -0.819 . . . . 0.0 109.813 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.05 -43.48 85.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.561 -0.712 . . . . 0.0 109.942 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -51.1 71.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.427 -0.796 . . . . 0.0 110.841 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.79 -49.92 73.05 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.183 -0.948 . . . . 0.0 110.445 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.36 -39.69 92.63 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.027 -1.045 . . . . 0.0 109.889 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.05 -35.61 81.73 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.151 -0.968 . . . . 0.0 109.133 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.2 18.91 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 pt -128.72 165.21 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.551 -0.97 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.541 ' HG ' ' N ' ' B' ' 29' ' ' ARG . 28.7 t -79.74 166.29 21.93 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.66 0.743 . . . . 0.0 110.524 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.541 ' N ' ' HG ' ' B' ' 28' ' ' SER . 31.0 mtm180 -64.97 -37.38 87.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.56 -0.713 . . . . 0.0 109.29 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.15 -38.93 92.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.511 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -61.21 -45.61 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 0.0 108.725 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 48.5 tp -64.96 -38.83 92.27 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -40.46 76.06 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.555 -0.716 . . . . 0.0 109.677 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -62.09 -43.56 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.382 -0.824 . . . . 0.0 109.364 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 39' ' ' GLU . 66.6 mt -64.18 -45.14 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.368 -0.833 . . . . 0.0 109.226 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.535 ' CD ' HH22 ' B' ' 11' ' ' ARG . 78.9 tt0 -71.74 -17.16 62.22 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.442 -0.786 . . . . 0.0 110.012 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -96.32 -15.51 21.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -0.996 . . . . 0.0 108.835 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.5 p -155.53 47.93 0.52 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' B' ' 40' ' ' THR . 0.0 OUTLIER -52.22 -81.83 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.522 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m 53.47 158.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.724 0.773 . . . . 0.0 110.853 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.94 125.44 60.7 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.89 -1.131 . . . . 0.0 110.345 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.69 161.81 30.46 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.622 2.215 . . . . 0.0 112.504 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.97 -20.44 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.245 -0.909 . . . . 0.0 109.459 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.41 -43.77 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.408 -0.807 . . . . 0.0 109.434 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.89 -41.29 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.424 -0.797 . . . . 0.0 109.438 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.73 -41.28 86.07 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.272 -0.893 . . . . 0.0 109.562 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.95 -45.92 91.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.045 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.67 -43.18 94.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.154 -0.966 . . . . 0.0 109.465 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.25 90.42 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.146 -0.971 . . . . 0.0 109.871 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -46.06 90.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.169 -0.957 . . . . 0.0 109.548 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.48 -38.38 90.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.48 -0.762 . . . . 0.0 109.277 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.82 96.22 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.799 . . . . 0.0 109.815 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -64.65 -15.99 62.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 0.0 109.757 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.595 ' HZ3' ' CD2' ' A' ' 16' ' ' LEU . 98.5 mttt -88.89 7.96 31.75 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.67 13.8 74.74 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.58 136.15 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.328 . . . . 0.0 109.967 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.83 80.0 9.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.567 -0.708 . . . . 0.0 111.085 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 4.0 mm? -68.09 -40.96 82.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -46.76 47.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.448 -0.782 . . . . 0.0 109.434 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.91 85.69 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.543 -0.723 . . . . 0.0 109.856 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.416 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -67.6 -35.55 79.19 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.399 -0.813 . . . . 0.0 109.298 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.58 -31.52 68.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.525 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' B' ' 64' ' ' ARG . 28.9 mtp85 -59.71 -34.09 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 108.643 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.6 mt -94.93 -66.29 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 109.802 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 pt -82.76 137.22 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.923 . . . . 0.0 110.842 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.515 ' C ' HD21 ' B' ' 68' ' ' ASN . 6.0 p -104.55 88.21 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.548 -0.72 . . . . 0.0 109.467 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.547 ' N ' HD21 ' B' ' 68' ' ' ASN . 1.2 m120 -105.14 12.38 32.1 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 45.99 37.16 3.48 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 51.5 tp -64.05 -42.02 97.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.28 -0.887 . . . . 0.0 109.647 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.65 90.12 7.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.125 -0.985 . . . . 0.0 109.873 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' B' ' 72' ' ' HIS . 10.7 t60 -85.28 -51.74 6.38 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.418 -0.802 . . . . 0.0 109.08 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -85.24 -172.01 3.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.628 -0.67 . . . . 0.0 110.346 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.602 ' CE1' ' CD2' ' B' ' 76' ' ' HIS . 1.4 t-80 -151.35 139.05 19.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.42 -0.8 . . . . 0.0 109.393 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -110.05 110.97 22.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.579 -0.701 . . . . 0.0 110.024 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.602 ' CD2' ' CE1' ' B' ' 74' ' ' HIS . 9.1 m-70 -157.3 120.03 3.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.416 -0.802 . . . . 0.0 108.977 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.412 ' O ' ' ND1' ' B' ' 77' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.402 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -79.53 157.09 27.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.488 -0.758 . . . . 0.0 109.855 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.94 -44.59 95.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.221 -0.925 . . . . 0.0 109.828 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p -62.28 -35.69 79.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 109.63 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -64.83 -39.91 94.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.411 -0.806 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 37.1 mm-40 -59.76 -52.28 66.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 110.08 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.84 -39.19 90.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 109.522 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -59.51 -40.36 86.82 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.211 -0.931 . . . . 0.0 109.328 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.19 -45.68 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 109.859 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 1.2 mp0 -61.06 -40.82 95.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.31 -0.868 . . . . 0.0 110.209 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 15' ' ' SER . 52.5 mtp180 -58.81 -42.98 90.42 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.92 -1.112 . . . . 0.0 108.452 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.94 -43.33 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -60.82 -44.95 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.334 -0.854 . . . . 0.0 109.468 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' SER . 91.4 mt -92.78 -2.01 56.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 108.658 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.1 t 36.78 64.26 0.59 Allowed 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.359 0.6 . . . . 0.0 110.331 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -107.28 134.95 49.62 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.469 0.652 . . . . 0.0 109.592 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.436 ' H ' ' HG1' ' A' ' 17' ' ' THR . 12.4 p -82.52 158.74 23.03 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.66 0.743 . . . . 0.0 110.412 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.36 -38.28 74.75 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.9 -46.98 82.42 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -61.09 -45.53 94.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.886 . . . . 0.0 109.374 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.92 -42.74 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.388 -0.82 . . . . 0.0 109.481 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.65 89.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.466 -0.771 . . . . 0.0 109.832 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -62.04 -49.99 73.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.121 -0.987 . . . . 0.0 109.755 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' OE1' ' CE1' ' B' ' 50' ' ' PHE . 4.7 tm-20 -70.4 -43.07 70.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.938 . . . . 0.0 110.064 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.8 -39.17 90.67 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.599 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.09 18.08 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.99 166.15 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.466 -1.02 . . . . 0.0 110.028 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.488 ' HG ' ' H ' ' A' ' 31' ' ' GLN . 17.0 p -73.43 161.55 30.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.672 0.749 . . . . 0.0 110.169 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -64.91 -38.86 92.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.518 -0.739 . . . . 0.0 109.243 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -65.26 -40.02 93.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.394 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.488 ' H ' ' HG ' ' A' ' 28' ' ' SER . 68.5 tp60 -61.15 -43.62 98.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.363 -0.836 . . . . 0.0 109.357 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.345 -0.847 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.64 -38.96 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.414 -0.804 . . . . 0.0 109.856 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 38' ' ' SER . 36.0 t30 -63.16 -37.38 87.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 109.919 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.47 -42.7 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.832 . . . . 0.0 109.257 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -65.17 -37.89 88.81 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.164 -0.96 . . . . 0.0 110.478 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -109.05 19.74 19.19 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.346 -0.846 . . . . 0.0 109.206 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' ASN . 7.7 t -61.33 -40.7 95.2 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 0.0 109.68 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 56.63 -88.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.573 0.701 . . . . 0.0 109.761 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' SER . 9.5 m -56.77 97.15 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.3 -0.875 . . . . 0.0 109.462 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.87 151.16 76.22 Favored Pre-proline 0 C--N 1.304 -1.405 0 O-C-N 121.48 -0.762 . . . . 0.0 109.61 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.01 152.22 80.66 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.514 2.143 . . . . 0.0 112.951 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 p -63.73 -26.64 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.87 -33.81 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.018 -1.052 . . . . 0.0 109.619 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.51 -43.97 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.22 -0.925 . . . . 0.0 108.867 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.39 -40.99 98.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.537 -0.727 . . . . 0.0 109.501 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.02 -41.46 98.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -0.849 . . . . 0.0 109.082 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.85 -43.77 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.327 -0.858 . . . . 0.0 108.841 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.82 70.36 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.36 -0.837 . . . . 0.0 108.987 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -62.9 -49.21 75.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.452 -0.78 . . . . 0.0 109.658 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.05 -21.89 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.453 -0.779 . . . . 0.0 109.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -61.91 -42.8 99.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -58.8 -33.49 70.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.603 -0.686 . . . . 0.0 109.223 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -75.52 1.6 13.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.228 -0.92 . . . . 0.0 108.643 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.94 32.54 84.36 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.91 -21.31 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.71 -1.465 . . . . 0.0 108.95 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.558 ' OD1' ' ND2' ' A' ' 59' ' ' ASN . 25.6 t0 66.84 82.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.549 0.69 . . . . 0.0 109.866 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.6 mt -92.06 -27.38 17.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.657 -0.652 . . . . 0.0 109.459 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.558 ' ND2' ' OD1' ' A' ' 57' ' ' ASP . 1.4 p-10 -43.14 -41.23 3.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -41.55 73.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 58' ' ' LEU . 3.4 tt -63.06 -50.08 72.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.349 -0.844 . . . . 0.0 109.389 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.44 -0.788 . . . . 0.0 109.832 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.75 -37.53 51.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.396 -0.815 . . . . 0.0 109.912 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -71.19 -9.57 58.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.131 -0.98 . . . . 0.0 109.68 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.6 mt -99.17 -36.98 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.302 -0.874 . . . . 0.0 109.299 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.87 -44.58 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.847 . . . . 0.0 108.928 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.1 m -47.92 149.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 121.707 0.765 . . . . 0.0 110.82 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -74.01 117.19 15.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.563 -0.711 . . . . 0.0 109.819 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -137.28 -19.2 1.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.2 mt 56.09 95.48 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.513 -0.742 . . . . 0.0 109.526 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -109.38 -32.63 7.09 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.447 ' CG ' ' N ' ' A' ' 73' ' ' HIS . 12.8 p-80 -171.11 -157.44 0.13 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.323 -0.861 . . . . 0.0 108.972 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.476 ' CD2' ' N ' ' A' ' 73' ' ' HIS . 4.9 m-70 -137.47 151.0 48.01 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.35 -0.843 . . . . 0.0 109.713 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -101.69 119.71 39.2 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.323 -0.861 . . . . 0.0 109.905 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' HIS . 86.3 t60 -107.14 -10.69 15.8 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.406 -0.809 . . . . 0.0 108.853 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' HIS . 68.8 t60 38.01 91.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.76 -0.587 . . . . 0.0 110.608 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.433 ' C ' ' ND1' ' A' ' 77' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.439 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mmm . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.379 0.609 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.15 151.03 40.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.429 -0.794 . . . . 0.0 110.733 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.5 -43.52 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.522 -0.736 . . . . 0.0 109.791 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -66.06 -40.28 90.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.223 -0.923 . . . . 0.0 110.188 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -64.77 -45.99 84.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 110.059 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.78 -36.54 78.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.253 -0.905 . . . . 0.0 109.232 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.9 tp -62.92 -41.75 99.57 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 109.246 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.46 ' HZ2' HH11 ' B' ' 11' ' ' ARG . 11.5 mmtt -64.99 -37.79 88.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.458 -0.776 . . . . 0.0 110.028 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.47 -44.18 92.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.344 -0.848 . . . . 0.0 109.223 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -64.39 -43.0 95.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.16 -0.963 . . . . 0.0 110.067 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 15' ' ' SER . 43.0 ttt180 -60.91 -44.89 96.54 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.904 -1.122 . . . . 0.0 109.109 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.12 -42.3 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -45.32 78.67 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' B' ' 15' ' ' SER . 91.3 mt -92.24 -2.14 56.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.514 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.5 m 36.41 73.22 0.09 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.271 0.558 . . . . 0.0 110.236 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -101.43 138.17 38.8 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.684 0.754 . . . . 0.0 109.995 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p -82.04 136.71 35.19 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.557 0.694 . . . . 0.0 110.131 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.75 85.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.463 -0.773 . . . . 0.0 109.666 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.87 -47.64 82.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.828 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.9 -46.28 88.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 110.075 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.68 -43.51 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.28 -0.887 . . . . 0.0 109.839 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.21 86.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.438 -0.789 . . . . 0.0 109.995 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.53 -45.33 79.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.959 . . . . 0.0 109.61 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -74.44 -36.49 63.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.974 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mmm -64.65 -36.37 84.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.368 -0.832 . . . . 0.0 109.259 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.38 24.16 27.15 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.0 pt -124.62 165.38 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.494 -1.003 . . . . 0.0 109.934 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -72.69 160.43 32.23 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.454 -0.778 . . . . 0.0 110.267 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.7 -40.71 97.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.57 -0.706 . . . . 0.0 109.28 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.37 -40.96 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.422 -0.799 . . . . 0.0 109.635 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.45 -39.83 94.63 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 109.226 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.99 -40.98 97.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.278 -0.889 . . . . 0.0 109.328 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.12 -35.52 78.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.468 -0.77 . . . . 0.0 109.35 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.27 -39.67 93.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.335 -0.853 . . . . 0.0 109.055 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.53 -43.94 98.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.435 -0.79 . . . . 0.0 109.125 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.94 -34.35 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 109.3 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -92.72 14.94 15.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.51 -0.743 . . . . 0.0 109.09 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 35.7 t -58.03 136.28 57.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.371 -0.83 . . . . 0.0 110.125 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -105.49 -69.48 0.82 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.625 -0.672 . . . . 0.0 109.239 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -95.63 116.19 28.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.102 -0.999 . . . . 0.0 109.376 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 150.88 87.66 Favored Pre-proline 0 N--CA 1.487 1.396 0 O-C-N 121.34 -0.85 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -66.11 151.26 84.17 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.54 2.16 . . . . 0.0 112.821 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 18.9 m -67.32 -19.17 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 109.969 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' B' ' 45' ' ' VAL . 9.3 p -56.03 -40.25 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.0 109.438 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.431 ' N ' ' CG1' ' B' ' 44' ' ' VAL . 89.8 t -63.89 -44.01 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.1 -41.71 99.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.361 -0.837 . . . . 0.0 109.208 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.36 -43.85 97.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.414 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.06 -43.22 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.366 -0.834 . . . . 0.0 109.337 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.43 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -55.8 -38.54 70.08 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.272 -0.892 . . . . 0.0 109.522 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' OE1' ' A' ' 24' ' ' GLU . 10.8 t80 -62.64 -46.9 86.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.408 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.56 -40.62 93.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.3 -0.875 . . . . 0.0 109.948 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.43 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 73.1 mtm180 -64.15 -37.98 89.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.273 -0.892 . . . . 0.0 109.276 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 94.6 p -61.27 -19.05 61.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.293 -0.879 . . . . 0.0 109.33 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -94.93 2.07 55.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.264 -0.897 . . . . 0.0 108.932 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' B' ' 57' ' ' ASP . . . 73.89 25.04 72.68 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.772 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' B' ' 56' ' ' VAL . 54.9 t -60.77 -2.94 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.643 -1.504 . . . . 0.0 109.617 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.509 ' H ' ' C ' ' B' ' 55' ' ' GLY . 17.4 m-20 57.62 69.94 0.7 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.642 -0.661 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.57 -1.26 29.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.374 -0.829 . . . . 0.0 108.893 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -63.0 -41.91 99.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.604 -0.685 . . . . 0.0 109.623 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.12 75.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 110.319 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.64 -51.26 70.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.159 -0.963 . . . . 0.0 109.899 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.88 -38.41 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.373 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.53 -22.84 56.67 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.2 -0.937 . . . . 0.0 108.558 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -86.87 -30.13 21.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.979 -1.075 . . . . 0.0 109.601 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' B' ' 67' ' ' VAL . 29.6 mm -72.55 -43.11 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 120.976 -1.077 . . . . 0.0 110.169 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' B' ' 67' ' ' VAL . 35.5 pt -55.85 -3.66 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.365 -0.834 . . . . 0.0 109.783 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.536 ' H ' ' C ' ' B' ' 65' ' ' ILE . 6.9 p -42.32 126.42 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.463 -0.773 . . . . 0.0 110.53 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -91.33 14.06 15.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.49 -0.756 . . . . 0.0 109.004 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.413 ' H ' HG23 ' B' ' 67' ' ' VAL . 98.4 mttt -81.87 99.94 9.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -0.895 . . . . 0.0 109.54 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' B' ' 69' ' ' LYS . 84.3 mt 39.43 85.86 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 121.55 0.69 . . . . 0.0 110.175 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.558 ' C ' ' H ' ' B' ' 73' ' ' HIS . 81.1 mt-10 -90.63 1.53 56.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.585 -0.697 . . . . 0.0 109.678 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -68.17 12.4 0.12 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.118 -0.989 . . . . 0.0 109.407 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.558 ' H ' ' C ' ' B' ' 71' ' ' GLU . 38.1 m170 -80.47 -9.68 59.76 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.271 -0.893 . . . . 0.0 108.821 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -96.55 101.11 12.67 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.461 -0.774 . . . . 0.0 110.135 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.436 ' CD2' ' C ' ' B' ' 75' ' ' HIS . 3.0 t60 -92.21 122.08 34.35 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' B' ' 77' ' ' HIS . 0.0 OUTLIER -167.23 143.72 4.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.022 -1.049 . . . . 0.0 109.046 179.526 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.473 ' O ' ' CE1' ' B' ' 76' ' ' HIS . 65.9 t-80 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.532 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.0 mpp? . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.483 0.658 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 61.4 144.57 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.706 0.765 . . . . 0.0 110.503 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.97 -39.38 94.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.757 -0.59 . . . . 0.0 110.423 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -55.48 -38.2 68.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.946 . . . . 0.0 110.29 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.9 -46.4 85.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.886 -1.134 . . . . 0.0 109.52 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -70.89 -42.24 70.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.144 -0.972 . . . . 0.0 109.222 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.34 -41.33 98.87 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.144 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.17 -39.08 85.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.0 109.262 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.5 -44.53 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.913 . . . . 0.0 109.096 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -56.52 -41.8 77.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.216 -0.927 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -59.18 -44.53 92.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.046 -1.033 . . . . 0.0 108.497 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.401 HG21 HD12 ' A' ' 12' ' ' ILE . 95.8 mt -72.39 -25.44 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.618 -0.676 . . . . 0.0 109.585 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -59.11 -44.58 92.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.749 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' C ' ' HG ' ' A' ' 15' ' ' SER . 96.5 mt -101.44 2.35 39.26 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.476 ' HG ' ' C ' ' A' ' 14' ' ' LEU . 4.7 p 47.62 77.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.378 -0.826 . . . . 0.0 110.629 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.71 157.77 15.75 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.401 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 6.5 p -102.68 133.86 47.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.625 -0.672 . . . . 0.0 109.284 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.24 90.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 0.0 109.807 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.19 -47.04 84.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.208 -0.933 . . . . 0.0 110.204 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.401 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 20.2 m -61.18 -44.3 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.11 -0.994 . . . . 0.0 110.167 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -62.92 -46.51 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.041 -1.037 . . . . 0.0 109.936 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.45 91.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.943 . . . . 0.0 109.933 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -68.88 -43.39 75.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.099 -1.0 . . . . 0.0 109.94 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -67.45 -45.41 76.09 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.154 -0.966 . . . . 0.0 110.147 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.0 mtp -65.51 -39.0 91.33 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.28 -0.888 . . . . 0.0 109.755 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.68 27.48 6.71 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 pt -125.23 162.87 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.543 -0.975 . . . . 0.0 109.434 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -75.7 157.73 33.23 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 110.049 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 54.7 mtm180 -65.07 -26.71 68.36 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.492 -0.755 . . . . 0.0 109.231 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.41 -44.82 96.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 109.065 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.97 -43.6 87.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.1 -41.38 97.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.356 -0.84 . . . . 0.0 109.12 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 97.1 m -62.22 -34.16 75.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.058 . . . . 0.0 109.745 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.47 -44.7 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.962 . . . . 0.0 109.474 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.39 -35.69 73.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -96.76 38.54 1.21 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.856 . . . . 0.0 110.27 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -159.15 124.75 4.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.0 -69.26 0.73 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.248 -0.907 . . . . 0.0 110.079 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 28.5 p -37.39 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.453 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.64 153.91 41.14 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.578 -0.701 . . . . 0.0 109.139 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.06 151.66 84.36 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.765 2.31 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.39 -18.67 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.498 -0.751 . . . . 0.0 110.26 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 45' ' ' VAL . 9.9 p -55.77 -40.38 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.959 . . . . 0.0 109.281 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.43 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 90.5 t -62.65 -46.03 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.209 -0.932 . . . . 0.0 109.084 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.28 -38.46 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.334 -0.854 . . . . 0.0 109.051 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.94 -41.65 87.92 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 109.124 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.31 -43.77 98.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.174 -0.954 . . . . 0.0 109.113 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -36.69 80.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.283 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.61 -46.39 90.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.178 -0.951 . . . . 0.0 109.367 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.62 -42.1 99.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 0.0 109.15 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -60.94 -41.98 97.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 109.386 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 t -59.0 -18.55 35.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.893 . . . . 0.0 109.325 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -93.23 2.64 56.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.309 -0.87 . . . . 0.0 108.956 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.98 9.93 61.8 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.88 133.59 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.941 -1.329 . . . . 0.0 109.149 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.84 111.21 20.55 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 110.409 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 3.3 mm? -90.63 -10.91 41.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.413 -0.804 . . . . 0.0 109.191 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 7.1 p30 -63.51 -39.54 94.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.801 . . . . 0.0 109.257 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.977 . . . . 0.0 109.576 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 4.0 mm? -62.72 -44.91 94.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.363 -0.836 . . . . 0.0 109.933 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.45 -43.14 73.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 0.0 109.688 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.88 -36.68 84.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -44.54 96.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.557 -0.714 . . . . 0.0 109.2 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.412 HD13 HG23 ' A' ' 65' ' ' ILE . 93.6 mt -71.91 -70.99 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.0 110.081 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.8 pt -81.07 132.55 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.288 -0.883 . . . . 0.0 109.785 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.05 131.97 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.511 -0.743 . . . . 0.0 109.556 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -68.84 -176.15 0.8 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.492 -0.755 . . . . 0.0 110.515 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.5 tttp 58.96 77.91 0.28 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.341 0.591 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.8 tp -89.4 -72.59 0.55 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.29 -0.882 . . . . 0.0 109.54 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 56.43 167.05 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.26 0.552 . . . . 0.0 109.927 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -118.67 123.42 44.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.697 -0.627 . . . . 0.0 110.012 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -153.27 -91.52 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -91.53 131.48 36.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.839 . . . . 0.0 108.891 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.47 124.9 35.17 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.367 -0.833 . . . . 0.0 109.412 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -67.67 -39.83 84.49 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.415 ' OXT' ' CG ' ' A' ' 77' ' ' HIS . 85.8 t60 . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.555 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ptp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.7 140.14 51.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.418 -0.801 . . . . 0.0 110.631 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.56 -41.82 98.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.693 . . . . 0.0 109.718 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -58.26 -43.05 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.184 -0.948 . . . . 0.0 109.501 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -62.92 -44.0 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.979 . . . . 0.0 110.111 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -70.4 -32.52 70.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.051 -1.031 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.22 -45.64 93.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.62 -37.71 88.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.534 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.39 -44.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.02 -1.05 . . . . 0.0 109.846 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -61.6 -35.56 78.2 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.893 -1.13 . . . . 0.0 109.115 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -59.69 -44.59 93.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.56 -44.55 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -63.3 -36.2 82.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.336 -0.852 . . . . 0.0 109.167 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' B' ' 15' ' ' SER . 63.4 mt -79.28 -4.93 53.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.404 ' C ' ' O ' ' B' ' 14' ' ' LEU . 3.1 t 38.63 57.0 1.84 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 122.004 -0.435 . . . . 0.0 110.134 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' B' ' 16' ' ' LEU . 3.5 pp -106.34 150.81 25.61 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.574 -0.704 . . . . 0.0 109.992 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -94.03 137.85 32.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.24 -0.913 . . . . 0.0 110.42 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.21 83.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.612 -0.68 . . . . 0.0 109.864 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.06 -44.33 97.55 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.126 -0.984 . . . . 0.0 109.83 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -62.14 -44.37 96.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.461 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 77.4 t -64.32 -44.41 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.779 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.78 82.68 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.42 -45.86 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.006 -1.059 . . . . 0.0 110.598 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.85 -46.64 77.73 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.142 -0.974 . . . . 0.0 110.341 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.461 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 93.8 mtp -66.06 -38.88 89.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.354 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.44 32.37 6.37 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.407 HG22 HD13 ' B' ' 27' ' ' ILE . 43.9 pt -126.35 163.27 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.517 -0.99 . . . . 0.0 109.836 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -79.81 158.6 26.77 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.793 0.806 . . . . 0.0 110.245 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.8 mtm-85 -62.0 -35.83 79.71 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.516 -0.74 . . . . 0.0 109.267 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.87 -40.72 94.01 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.679 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.89 -45.88 90.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.081 -1.012 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.06 -40.45 96.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.483 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.94 -36.06 76.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.299 -0.876 . . . . 0.0 109.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -62.31 -40.39 96.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.827 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.13 -43.55 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.507 -0.746 . . . . 0.0 109.757 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.38 -36.4 80.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.5 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.61 0.28 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.136 -0.977 . . . . 0.0 109.392 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -71.63 139.47 49.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.576 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -104.37 -48.27 3.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.347 -0.845 . . . . 0.0 108.798 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -105.89 162.53 13.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.98 142.71 25.17 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.332 -0.855 . . . . 0.0 109.128 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -66.16 160.35 45.28 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.116 1.877 . . . . 0.0 112.395 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.16 -31.23 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.403 -0.811 . . . . 0.0 110.814 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 p -46.47 -37.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.07 -44.02 95.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.62 -33.0 74.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -57.8 -46.14 85.08 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.01 91.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.254 -0.904 . . . . 0.0 110.312 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.413 ' O ' ' OG ' ' B' ' 53' ' ' SER . 10.1 t80 -62.0 -48.01 82.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.053 -1.029 . . . . 0.0 109.64 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.9 -41.33 99.4 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.097 -1.002 . . . . 0.0 109.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' B' ' 52' ' ' ARG . 26.8 mtp85 -62.69 -36.1 81.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.667 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 55.8 p -58.92 -19.2 40.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.246 -0.909 . . . . 0.0 108.712 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -97.09 -1.15 45.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.351 -0.843 . . . . 0.0 109.119 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . 0.475 ' O ' ' OD2' ' B' ' 57' ' ' ASP . . . 84.08 23.95 50.16 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.296 -0.954 . . . . 0.0 110.9 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.38 -45.57 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.903 -1.351 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 55' ' ' GLY . 1.1 m-20 65.38 61.74 0.7 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.339 -0.851 . . . . 0.0 109.684 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.406 HD22 ' H ' ' B' ' 58' ' ' LEU . 0.3 OUTLIER -88.52 -2.43 58.59 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.073 -1.017 . . . . 0.0 108.906 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -56.23 -50.75 70.4 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.357 -0.84 . . . . 0.0 108.923 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.89 -21.97 50.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.171 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.99 -53.58 55.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.029 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -85.26 -23.63 28.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.813 -1.179 . . . . 0.0 110.318 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.1 -34.7 57.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.762 -1.211 . . . . 0.0 109.032 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -59.15 -33.4 70.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.023 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.8 -44.47 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.266 -0.896 . . . . 0.0 109.952 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.79 127.4 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.953 . . . . 0.0 109.691 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -84.43 130.12 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.463 -0.773 . . . . 0.0 110.074 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.627 HD21 ' H ' ' B' ' 69' ' ' LYS . 0.4 OUTLIER -83.35 137.08 34.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.504 -0.748 . . . . 0.0 110.76 -179.491 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.627 ' H ' HD21 ' B' ' 68' ' ' ASN . 58.7 tttp 56.84 110.56 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.333 -0.855 . . . . 0.0 109.971 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' B' ' 70' ' ' LEU . 3.7 mm? -89.01 137.67 32.1 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.363 -0.836 . . . . 0.0 109.833 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 72' ' ' HIS . 98.5 mt-10 -143.46 -114.9 0.1 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.366 -0.834 . . . . 0.0 109.119 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' B' ' 71' ' ' GLU . 8.2 m80 59.75 136.41 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.315 -0.866 . . . . 0.0 110.455 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' B' ' 74' ' ' HIS . 3.1 m80 -56.19 -78.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.44 -0.788 . . . . 0.0 110.585 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' B' ' 73' ' ' HIS . 19.0 m80 -45.1 -94.44 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.0 110.151 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.428 ' C ' ' H ' ' B' ' 77' ' ' HIS . 0.1 OUTLIER 171.94 -5.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 49.35 14.69 0.1 Allowed 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' B' ' 75' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.185 -0.947 . . . . 0.0 109.332 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.553 ' CE ' HD21 ' A' ' 5' ' ' ASN . 97.5 mmm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 53.07 -105.56 0.25 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 110.822 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -46.32 90.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.258 -0.901 . . . . 0.0 109.196 -178.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.7 t -63.5 -42.0 98.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.131 -0.981 . . . . 0.0 109.313 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.553 HD21 ' CE ' ' A' ' 1' ' ' MET . 17.9 t-20 -62.26 -40.62 96.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.28 -50.88 71.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.046 . . . . 0.0 110.361 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 8.7 mp -63.14 -41.54 99.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.969 -1.082 . . . . 0.0 109.245 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.29 -42.15 99.1 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.64 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.93 . . . . 0.0 110.201 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.14 -38.64 91.97 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 109.355 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.514 ' NH1' ' CD ' ' A' ' 36' ' ' GLU . 49.8 ttt180 -59.17 -42.45 90.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.576 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.408 HD13 HG22 ' A' ' 12' ' ' ILE . 96.9 mt -65.79 -42.51 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.712 -0.618 . . . . 0.0 109.81 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -54.66 -44.3 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.015 -1.053 . . . . 0.0 110.017 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.34 -4.23 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.006 -1.059 . . . . 0.0 108.575 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t 50.54 75.94 0.16 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 110.717 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.92 137.01 49.08 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.475 ' HG1' ' H ' ' A' ' 20' ' ' SER . 65.0 p -86.58 158.75 19.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.471 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.64 81.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.0 109.277 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.02 -45.94 89.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.452 -0.78 . . . . 0.0 110.128 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.475 ' H ' ' HG1' ' A' ' 17' ' ' THR . 65.4 m -60.45 -45.97 91.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.953 -1.092 . . . . 0.0 109.658 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.05 -44.82 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.597 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' GLY . . . -63.76 -38.84 92.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.4 -41.28 89.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.865 . . . . 0.0 108.967 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.96 -52.83 17.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -0.923 . . . . 0.0 109.297 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.3 mtp -65.84 -39.4 90.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.404 -0.81 . . . . 0.0 109.572 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' ALA . . . 87.26 40.36 6.98 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 pt -127.04 164.79 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.439 -1.036 . . . . 0.0 109.979 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 154.69 40.95 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.222 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -64.56 -37.31 87.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.455 -0.778 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.46 -41.88 95.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 109.549 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.44 -40.96 98.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 0.0 109.081 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.31 -39.91 95.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.281 -0.887 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.0 m -57.0 -42.51 80.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.104 -0.998 . . . . 0.0 109.202 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -64.61 -41.69 96.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.268 -0.895 . . . . 0.0 109.408 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.21 -43.39 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.701 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' CD ' ' NH1' ' A' ' 11' ' ' ARG . 27.0 mt-10 -54.85 -46.03 74.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.195 -0.94 . . . . 0.0 109.592 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' SER . 15.8 pt20 -93.7 21.31 6.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 108.969 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 p -41.93 103.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.561 -0.712 . . . . 0.0 109.782 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.18 -81.45 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.504 -0.747 . . . . 0.0 109.716 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.2 t -103.04 161.08 14.06 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.356 -0.84 . . . . 0.0 109.789 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . . . -87.27 149.33 46.86 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.121 -0.987 . . . . 0.0 109.4 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.87 165.22 31.84 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.556 2.171 . . . . 0.0 112.17 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 m -59.49 -28.51 40.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.413 -0.804 . . . . 0.0 109.809 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.34 -46.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.053 -1.03 . . . . 0.0 109.952 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.2 -43.68 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.08 -1.013 . . . . 0.0 109.631 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' NZ ' ' O ' ' A' ' 41' ' ' ALA . 63.3 mttp -60.7 -42.41 97.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -61.9 -42.78 99.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.195 -0.941 . . . . 0.0 109.315 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.37 -43.84 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 0.0 109.2 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -35.19 76.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.203 -0.936 . . . . 0.0 108.911 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -60.38 -46.39 90.12 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.0 -40.98 99.39 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -62.34 -37.06 84.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.0 109.504 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -61.73 -19.13 62.09 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.186 -0.946 . . . . 0.0 109.159 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -95.27 0.38 53.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.191 -0.943 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.29 27.73 47.42 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 120.026 -1.083 . . . . 0.0 110.835 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.01 -22.04 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.805 -1.409 . . . . 0.0 109.161 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 63.7 68.91 0.57 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.523 0.677 . . . . 0.0 109.889 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 59' ' ' ASN . 5.4 tp -62.92 -38.34 90.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.613 -0.679 . . . . 0.0 109.782 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' LEU . 46.0 m-80 -34.35 -54.13 0.51 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.254 0.549 . . . . 0.0 110.834 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.96 80.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' LEU . 5.6 tt -60.65 -48.51 81.45 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.019 -1.051 . . . . 0.0 110.315 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -73.84 -39.99 63.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.943 -1.098 . . . . 0.0 109.635 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.1 -18.01 59.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -18.56 61.99 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -95.19 -60.28 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.472 ' O ' ' O ' ' A' ' 67' ' ' VAL . 32.3 pt -69.95 -22.29 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 109.666 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 66' ' ' ILE . 46.2 t 56.53 122.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 CA-C-O 121.614 0.721 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.792 ' N ' HD21 ' A' ' 68' ' ' ASN . 0.0 OUTLIER -34.49 132.24 0.3 Allowed 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.494 0.664 . . . . 0.0 110.987 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -93.18 111.88 23.66 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.227 -0.921 . . . . 0.0 109.454 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.552 ' CG ' ' H ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -151.35 -110.61 0.05 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.525 -0.734 . . . . 0.0 109.439 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' H ' ' CG ' ' A' ' 70' ' ' LEU . 3.5 tt0 80.4 86.94 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.463 0.649 . . . . 0.0 110.586 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.642 ' CD2' ' N ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -108.99 105.03 14.38 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -83.23 54.06 2.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.089 -1.007 . . . . 0.0 110.528 -178.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.632 ' ND1' ' N ' ' A' ' 75' ' ' HIS . 13.4 t-80 -27.61 -97.21 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.615 0 CA-C-O 121.004 0.431 . . . . 0.0 111.359 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.632 ' N ' ' ND1' ' A' ' 74' ' ' HIS . 42.0 m80 -157.32 -49.69 0.07 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.843 -1.161 . . . . 0.0 108.813 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -100.55 -8.71 22.77 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.463 -0.773 . . . . 0.0 109.425 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.62 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 58.26 110.44 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.45 -0.781 . . . . 0.0 109.84 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -63.77 -37.89 89.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.369 -0.832 . . . . 0.0 109.825 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.4 t -56.97 -45.27 83.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.025 -1.047 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -65.66 -39.36 91.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.101 -0.999 . . . . 0.0 109.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -57.44 -51.88 67.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.083 -1.011 . . . . 0.0 110.68 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.03 -40.25 97.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.027 -1.046 . . . . 0.0 109.208 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.21 -43.8 92.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 109.71 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.09 -44.55 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.224 -0.923 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -65.14 -42.59 93.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.044 -1.035 . . . . 0.0 110.308 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' B' ' 15' ' ' SER . 54.8 ttp180 -60.5 -46.55 89.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.96 -43.15 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.703 -0.623 . . . . 0.0 109.895 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -57.76 -45.02 86.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.207 -0.933 . . . . 0.0 109.244 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 83.3 mt -92.84 -0.95 57.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.191 -0.943 . . . . 0.0 108.506 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.426 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 40.8 81.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.844 -0.535 . . . . 0.0 110.992 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.74 140.42 35.04 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.286 -0.884 . . . . 0.0 109.029 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -87.76 134.26 33.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.399 -0.813 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.39 83.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.472 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.56 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 68.1 mttm -62.92 -46.82 86.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.97 -1.081 . . . . 0.0 109.971 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.5 t -65.09 -46.31 81.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.114 -0.991 . . . . 0.0 109.832 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.32 -46.06 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.831 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.73 93.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 110.283 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.42 -45.52 83.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -69.8 -42.61 73.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.315 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 73.3 mmm -65.8 -39.68 91.18 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.506 -0.746 . . . . 0.0 109.459 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.65 9.07 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.12 168.06 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 O-C-N 121.344 -1.092 . . . . 0.0 110.238 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -70.93 154.01 42.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.56 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 76.8 mtm180 -65.02 -37.02 86.27 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 108.912 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.31 -42.15 98.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.959 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.18 -43.03 96.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.03 -43.21 99.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 109.126 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -31.24 72.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.187 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -62.36 -42.37 99.35 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.073 -1.017 . . . . 0.0 110.379 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' B' ' 40' ' ' THR . 95.4 mt -61.29 -70.01 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.467 -0.771 . . . . 0.0 111.968 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -52.77 -28.7 23.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.398 -0.813 . . . . 0.0 110.983 -177.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -1.88 45.43 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.714 -1.241 . . . . 0.0 110.821 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 177.88 155.06 0.34 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.873 -1.142 . . . . 0.0 109.539 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 49.08 94.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.828 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' ILE . 53.0 p -132.6 -12.4 3.03 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.374 -0.828 . . . . 0.0 109.445 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.59 81.2 64.84 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.459 -0.775 . . . . 0.0 109.781 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.24 -179.63 5.62 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.328 2.019 . . . . 0.0 112.289 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.33 -33.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.336 -0.853 . . . . 0.0 109.946 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.84 -46.54 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.045 . . . . 0.0 109.846 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.99 -42.03 93.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.0 109.539 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.23 -40.13 80.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.077 -1.014 . . . . 0.0 109.164 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -61.12 -48.55 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.181 -0.95 . . . . 0.0 109.613 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.9 -45.87 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.95 -1.094 . . . . 0.0 108.937 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.2 75.02 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.222 -0.924 . . . . 0.0 109.321 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -57.34 -44.56 84.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.63 -39.43 93.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.405 ' HA ' ' H ' ' B' ' 57' ' ' ASP . 48.7 ttp180 -60.09 -40.2 88.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.281 -0.887 . . . . 0.0 110.173 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -61.36 -16.35 45.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.142 -0.974 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -93.26 1.25 57.11 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.233 -0.917 . . . . 0.0 110.094 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.52 1.53 57.75 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.67 -41.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.999 -1.295 . . . . 0.0 109.406 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.405 ' H ' ' HA ' ' B' ' 52' ' ' ARG . 83.8 m-20 60.68 87.2 0.09 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.657 0.742 . . . . 0.0 110.328 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 59' ' ' ASN . 2.9 pp -69.38 -37.26 77.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.63 -0.669 . . . . 0.0 110.37 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' B' ' 58' ' ' LEU . 12.8 p-10 -41.57 -53.48 3.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.202 -0.936 . . . . 0.0 110.749 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.81 85.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.132 -0.98 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.0 -47.07 87.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.218 -0.926 . . . . 0.0 108.644 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' B' ' 65' ' ' ILE . 2.3 m-85 -70.07 -32.54 70.68 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.144 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -49.11 -34.57 14.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.34 -41.16 84.04 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' B' ' 62' ' ' PHE . 60.8 mt -63.45 -44.24 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.451 -0.781 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -74.51 162.08 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.174 -0.954 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.33 150.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.306 -0.871 . . . . 0.0 110.107 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.683 ' N ' HD21 ' B' ' 68' ' ' ASN . 0.0 OUTLIER -60.56 164.54 4.44 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.685 -1.26 . . . . 0.0 109.023 179.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -116.44 69.21 0.74 Allowed 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.383 -0.823 . . . . 0.0 109.996 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' B' ' 71' ' ' GLU . 9.5 mp 48.48 -165.77 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.421 -0.8 . . . . 0.0 110.424 178.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' B' ' 70' ' ' LEU . 3.0 tp10 81.81 15.77 0.49 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.43 113.36 19.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.184 -0.947 . . . . 0.0 109.789 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' B' ' 74' ' ' HIS . 5.4 p-80 -90.68 17.08 8.02 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' B' ' 73' ' ' HIS . 2.1 t-160 -33.03 151.5 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.47 0.653 . . . . 0.0 110.903 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' B' ' 77' ' ' HIS . 3.0 p80 -146.27 173.35 12.32 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 57.58 -79.23 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.389 -0.819 . . . . 0.0 109.647 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' B' ' 75' ' ' HIS . 17.7 t-160 . . . . . 0 N--CA 1.494 1.755 0 O-C-N 120.941 -1.1 . . . . 0.0 109.581 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.239 0.542 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -70.08 141.89 52.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.45 -45.1 94.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.446 -0.784 . . . . 0.0 110.365 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 m -60.44 -36.75 78.96 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.226 -0.921 . . . . 0.0 109.698 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.552 ' OD1' ' NZ ' ' A' ' 8' ' ' LYS . 56.5 t30 -61.8 -45.5 93.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.344 -0.847 . . . . 0.0 109.862 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -70.87 -42.05 70.59 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.157 -0.964 . . . . 0.0 109.678 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.41 -45.0 95.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.838 . . . . 0.0 110.436 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' A' ' 5' ' ' ASN . 9.5 pttm -65.4 -34.15 77.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.0 109.386 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -58.52 -46.25 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.408 -0.807 . . . . 0.0 109.326 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.55 -45.6 86.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.86 -1.15 . . . . 0.0 109.574 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -59.59 -44.85 93.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 109.571 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.96 -43.34 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.463 -0.773 . . . . 0.0 109.484 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -58.41 -44.71 89.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 109.7 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.7 mt -89.66 -1.49 58.03 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.246 -0.908 . . . . 0.0 109.147 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.2 p 41.55 73.71 0.12 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.646 -0.659 . . . . 0.0 109.65 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -98.9 136.15 39.31 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.327 -0.858 . . . . 0.0 109.822 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -89.03 134.79 33.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.501 -0.75 . . . . 0.0 109.721 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.28 83.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.43 -0.794 . . . . 0.0 109.68 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -62.75 -46.27 88.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.817 . . . . 0.0 109.771 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -60.59 -44.83 95.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.718 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.61 -43.55 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.329 -0.857 . . . . 0.0 109.437 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.47 86.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 110.273 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.29 -38.33 89.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.488 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.5 -51.0 26.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.275 -0.89 . . . . 0.0 109.863 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.68 -39.12 93.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.413 -0.804 . . . . 0.0 109.599 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.2 30.36 7.06 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -126.63 167.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.449 -1.03 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 p -75.12 154.47 37.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 110.356 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -65.52 -39.0 91.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 109.266 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -57.0 -42.11 79.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.01 -40.24 97.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.22 -0.925 . . . . 0.0 109.253 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.96 -42.12 98.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.404 -0.81 . . . . 0.0 109.497 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 99.0 m -60.94 -36.28 78.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.359 -0.838 . . . . 0.0 109.412 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -64.16 -37.0 85.89 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.18 -44.61 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.966 . . . . 0.0 110.096 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.13 -32.7 72.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 108.955 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -82.57 20.23 1.15 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.358 -0.839 . . . . 0.0 109.301 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 40' ' ' THR . 73.7 m -73.02 -7.14 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.261 -0.9 . . . . 0.0 109.099 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 47.94 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.695 -0.628 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 38' ' ' SER . 13.1 t -98.22 136.53 38.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.121 -0.987 . . . . 0.0 109.429 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 152.15 94.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.918 . . . . 0.0 109.979 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.81 160.49 47.77 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.759 2.306 . . . . 0.0 112.754 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 m -59.8 -20.55 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.377 -0.827 . . . . 0.0 109.136 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.11 -45.52 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.344 -0.847 . . . . 0.0 108.982 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.319 -0.863 . . . . 0.0 108.977 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.75 -39.21 93.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.37 -0.831 . . . . 0.0 109.258 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -60.0 -41.21 91.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.219 -0.926 . . . . 0.0 109.168 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.14 -43.15 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.352 -0.842 . . . . 0.0 109.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.42 -34.77 71.16 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.188 -0.945 . . . . 0.0 109.158 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.39 -48.37 81.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.11 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.7 mt -63.69 -41.37 98.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.343 -0.848 . . . . 0.0 109.202 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -43.39 93.23 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 m -60.52 -33.42 72.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.552 -0.717 . . . . 0.0 109.381 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -74.49 3.97 6.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.345 -0.847 . . . . 0.0 109.047 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.77 17.18 79.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.44 134.04 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.251 . . . . 0.0 109.437 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.6 64.37 0.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 109.934 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.11 -32.76 74.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.666 -0.646 . . . . 0.0 109.266 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.27 -42.77 82.22 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.34 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.26 -46.51 90.08 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.091 -1.006 . . . . 0.0 109.65 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.0 -40.05 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.416 -0.802 . . . . 0.0 110.159 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.21 -47.02 54.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.339 -0.851 . . . . 0.0 110.023 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -68.38 -37.81 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.849 -1.157 . . . . 0.0 109.747 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.11 -43.95 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 0.0 109.407 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -88.64 117.71 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.175 -0.953 . . . . 0.0 109.522 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.6 m -110.52 128.67 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.307 -0.871 . . . . 0.0 109.891 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -89.99 -167.89 1.97 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.395 -0.816 . . . . 0.0 109.623 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -80.34 100.65 8.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.326 -0.859 . . . . 0.0 109.586 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.29 124.07 2.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 0.0 108.862 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -109.01 -1.88 18.61 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.469 ' ND1' ' C ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -155.99 -153.42 0.43 Allowed 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 122.379 1.085 . . . . 0.0 110.915 -178.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.438 ' N ' ' CG ' ' A' ' 72' ' ' HIS . 56.6 t-80 41.65 88.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.895 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -84.12 156.67 22.02 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 76.7 t60 -93.37 64.73 3.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.073 -1.017 . . . . 0.0 109.715 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.519 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 0.2 OUTLIER 57.04 127.98 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.753 0.787 . . . . 0.0 110.258 179.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 76' ' ' HIS . 35.8 m80 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.11 -0.994 . . . . 0.0 109.117 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.53 135.18 51.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.194 -0.941 . . . . 0.0 110.016 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.12 -42.82 96.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.413 -0.804 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.4 t -60.9 -40.69 94.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.327 -0.858 . . . . 0.0 109.858 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.511 ' C ' HD21 ' B' ' 5' ' ' ASN . 0.3 OUTLIER -61.11 -47.29 86.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.222 -0.924 . . . . 0.0 110.034 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 33.1 mm-40 -69.86 -42.07 74.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.1 tp -62.97 -42.38 99.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.487 -0.758 . . . . 0.0 109.547 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.476 ' NZ ' HH21 ' B' ' 11' ' ' ARG . 63.7 tttp -62.87 -37.97 89.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 109.828 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.93 -46.65 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 3.5 mp0 -67.76 -39.21 84.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.25 -0.906 . . . . 0.0 109.647 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.476 HH21 ' NZ ' ' B' ' 8' ' ' LYS . 3.5 tmm_? -57.0 -45.03 83.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.178 -0.951 . . . . 0.0 108.69 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.15 -46.33 90.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.249 -0.907 . . . . 0.0 109.761 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' B' ' 14' ' ' LEU . 3.4 mm? -80.84 -2.72 48.5 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.993 -1.067 . . . . 0.0 108.636 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.429 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.2 m 36.8 57.56 1.15 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.237 0.541 . . . . 0.0 109.72 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.52 147.16 33.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.256 -0.902 . . . . 0.0 110.041 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p -97.62 139.9 32.83 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 110.01 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.59 88.13 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 0.0 110.1 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -62.44 -47.49 83.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.3 -0.875 . . . . 0.0 109.871 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -62.03 -44.09 97.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 109.643 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.02 -43.53 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.393 -0.817 . . . . 0.0 109.449 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.51 92.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 110.352 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -65.93 -40.32 91.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.923 -1.111 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.06 -56.35 10.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.21 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 83.6 mtp -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.408 -0.807 . . . . 0.0 109.404 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.26 36.76 6.48 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -126.28 167.36 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.46 -1.024 . . . . 0.0 110.158 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -73.39 161.94 29.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.404 -0.81 . . . . 0.0 110.296 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -65.02 -39.91 94.07 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -65.04 -38.02 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -62.28 -38.87 90.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 0.0 109.002 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.35 -42.24 99.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.302 -0.874 . . . . 0.0 109.402 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.1 m -60.66 -37.1 80.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -64.56 -36.73 85.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.348 -0.845 . . . . 0.0 109.535 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.01 -43.03 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 108.957 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 38' ' ' SER . 68.0 mt-10 -64.98 -36.31 83.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.543 -0.723 . . . . 0.0 109.251 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.27 36.75 0.1 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.516 ' H ' ' C ' ' B' ' 36' ' ' GLU . 47.8 t -70.14 100.24 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 40' ' ' THR . 65.5 mm-40 -67.38 99.86 0.77 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.195 -0.94 . . . . 0.0 108.79 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' O ' ' B' ' 39' ' ' GLU . 88.0 m 59.68 143.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.34 0.59 . . . . 0.0 109.467 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.4 142.68 89.62 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.307 -0.871 . . . . 0.0 110.381 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.14 161.37 43.36 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.638 2.226 . . . . 0.0 112.952 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.44 -20.39 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.823 . . . . 0.0 109.517 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.39 -45.59 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -43.03 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -60.37 -37.69 81.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.85 -43.17 90.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.959 . . . . 0.0 108.952 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.78 -42.46 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.6 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.437 -0.789 . . . . 0.0 109.065 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -62.17 -48.15 81.34 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' B' ' 51' ' ' LEU . 3.8 mm? -65.09 -42.54 93.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.427 -0.796 . . . . 0.0 109.16 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -66.11 -38.79 89.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.401 -0.812 . . . . 0.0 109.331 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -55.33 -33.86 63.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 0.0 109.83 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -83.44 2.66 35.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.106 -0.997 . . . . 0.0 109.452 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.48 26.79 69.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' B' ' 58' ' ' LEU . 54.4 t -68.19 135.09 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.302 . . . . 0.0 109.479 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -47.52 83.7 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.723 -0.611 . . . . 0.0 110.365 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' B' ' 56' ' ' VAL . 57.3 tp -91.73 -42.65 10.02 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.338 -0.851 . . . . 0.0 109.699 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -54.54 28.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 109.645 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.16 95.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.065 -1.022 . . . . 0.0 109.475 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tp -41.57 -57.9 2.1 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.691 -0.631 . . . . 0.0 110.268 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.69 -44.49 93.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.324 -0.86 . . . . 0.0 109.532 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -44.6 -33.74 1.9 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.503 -0.748 . . . . 0.0 109.927 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -65.09 -42.49 94.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.264 -0.897 . . . . 0.0 109.153 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.14 -44.03 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 0.0 110.27 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 24.1 pt -90.19 133.35 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.186 -0.946 . . . . 0.0 111.203 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 92.7 t -78.72 -21.15 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.775 . . . . 0.0 109.228 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' B' ' 70' ' ' LEU . 7.4 t-20 60.93 33.44 19.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.613 -0.679 . . . . 0.0 109.334 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 68' ' ' ASN . 52.3 mtmt 39.61 25.1 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.667 -0.645 . . . . 0.0 109.705 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 68' ' ' ASN . 56.3 tp -66.05 105.47 1.36 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.364 -0.835 . . . . 0.0 109.574 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.504 ' C ' ' CG ' ' B' ' 72' ' ' HIS . 45.9 mt-10 -102.3 124.8 48.52 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.49 -0.756 . . . . 0.0 110.247 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.504 ' CG ' ' C ' ' B' ' 71' ' ' GLU . 1.1 m170 73.96 170.21 0.3 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 121.794 0.807 . . . . 0.0 111.413 178.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' B' ' 72' ' ' HIS . 37.3 t-80 37.35 88.1 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.269 0.557 . . . . 0.0 110.4 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -74.6 128.71 36.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.276 -0.89 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -77.01 89.22 3.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.379 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -175.01 84.72 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.312 -0.868 . . . . 0.0 108.741 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 31.8 p80 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.126 -179.646 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 4.1 pm0 -71.38 150.03 45.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.384 -0.822 . . . . 0.0 109.422 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.53 -38.81 92.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.489 -0.757 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.0 t -57.36 -45.71 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.962 -1.086 . . . . 0.0 109.875 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.03 -40.14 94.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -0.979 . . . . 0.0 109.102 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.51 -39.88 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.302 -0.873 . . . . 0.0 109.186 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.84 -39.9 95.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.377 -0.827 . . . . 0.0 109.089 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -42.73 98.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.551 -0.718 . . . . 0.0 110.045 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.84 -44.98 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.113 -0.992 . . . . 0.0 110.056 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -62.55 -32.36 73.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.106 -0.996 . . . . 0.0 109.482 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -73.58 -41.01 63.46 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.05 -1.031 . . . . 0.0 109.832 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 12' ' ' ILE . 97.5 mt -63.61 -50.48 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.328 -0.858 . . . . 0.0 111.049 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -36.11 82.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.123 -0.986 . . . . 0.0 109.317 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.75 -5.1 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 108.734 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t 42.36 71.7 0.21 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.58 -0.7 . . . . 0.0 109.926 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.3 mt -107.77 128.18 54.35 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.748 . . . . 0.0 109.593 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 82.7 p -87.4 158.35 19.02 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 110.271 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.22 78.34 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.55 -0.719 . . . . 0.0 109.5 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -65.91 -43.49 88.02 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.43 -0.793 . . . . 0.0 110.327 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.425 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 78.0 p -61.69 -44.48 96.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -0.888 . . . . 0.0 110.224 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.52 -44.71 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.98 . . . . 0.0 109.377 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.14 84.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.752 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.77 -54.23 47.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.258 -0.902 . . . . 0.0 108.987 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.14 -44.03 73.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.251 -0.905 . . . . 0.0 109.842 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.73 -39.65 94.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 0.0 109.146 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.31 32.4 22.83 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 pt -123.29 168.53 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.559 -0.965 . . . . 0.0 109.976 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 m -71.57 152.65 42.76 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.858 0.837 . . . . 0.0 110.166 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -64.79 -37.15 86.63 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.317 -0.864 . . . . 0.0 109.28 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.69 -45.27 94.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 108.893 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.84 -42.81 99.5 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.453 0.644 . . . . 0.0 109.408 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.11 -31.58 72.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.267 -0.896 . . . . 0.0 109.161 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -61.35 -45.95 92.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 109.618 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.407 HG22 HD13 ' A' ' 35' ' ' ILE . 97.6 mt -66.71 -43.67 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.123 -0.985 . . . . 0.0 109.725 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -67.31 -36.82 82.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.384 -0.823 . . . . 0.0 109.994 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -78.44 12.54 1.92 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.917 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -97.24 119.82 36.45 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -92.25 -11.06 36.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.285 -0.885 . . . . 0.0 109.75 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -124.36 131.76 53.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.622 -0.674 . . . . 0.0 109.33 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.17 146.93 68.29 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.405 -0.81 . . . . 0.0 109.84 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.46 158.46 51.15 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.661 2.241 . . . . 0.0 112.917 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 p -67.25 -37.25 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.444 -0.785 . . . . 0.0 109.958 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 2.8 m -46.39 -42.4 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.27 -0.894 . . . . 0.0 109.465 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 53.1 t -65.52 -43.81 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 108.849 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.78 -38.25 87.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 0.0 109.119 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.531 ' OH ' ' NH2' ' B' ' 11' ' ' ARG . 23.1 t80 -60.35 -41.59 93.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.399 -0.813 . . . . 0.0 109.419 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.414 HD11 HG23 ' A' ' 48' ' ' ILE . 91.1 mt -62.16 -43.45 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 0.0 108.844 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.86 77.16 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.38 -0.825 . . . . 0.0 109.358 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -60.39 -48.42 81.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.178 -0.951 . . . . 0.0 109.401 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.1 -42.18 94.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.202 -0.936 . . . . 0.0 109.505 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.9 -34.58 78.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.36 -0.837 . . . . 0.0 108.965 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -59.01 -21.59 59.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -93.0 1.07 57.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.0 108.87 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.14 24.75 54.05 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.41 134.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.271 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.77 53.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.62 -0.675 . . . . 0.0 109.754 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.69 -10.7 59.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.313 -0.867 . . . . 0.0 108.778 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.7 -31.69 73.02 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.513 -0.742 . . . . 0.0 109.183 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.35 88.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.995 -1.065 . . . . 0.0 109.457 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.9 -39.7 93.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.0 108.843 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.28 -50.24 48.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -50.72 -40.81 55.2 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' O ' ' OD1' ' A' ' 68' ' ' ASN . 24.2 ttm180 -61.03 -49.79 75.97 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.601 -0.687 . . . . 0.0 109.396 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 65' ' ' ILE . 96.8 mt -68.03 -44.01 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.162 -0.961 . . . . 0.0 110.839 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.89 -87.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.194 -0.941 . . . . 0.0 111.431 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.426 ' O ' ' OD1' ' A' ' 68' ' ' ASN . 12.4 p -77.41 127.5 38.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.326 -0.859 . . . . 0.0 110.903 -177.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 64' ' ' ARG . 88.8 m-20 -138.09 -57.3 0.66 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -143.53 69.58 1.29 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.436 ' CG ' ' H ' ' A' ' 71' ' ' GLU . 3.9 tp -69.02 -146.49 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.407 -0.808 . . . . 0.0 109.663 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' H ' ' CG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -91.01 94.1 9.48 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.146 -0.971 . . . . 0.0 109.688 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.408 ' C ' ' CD2' ' A' ' 73' ' ' HIS . 35.3 p80 -165.41 157.54 15.14 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 72' ' ' HIS . 1.4 p80 -177.27 131.01 0.17 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.003 -1.061 . . . . 0.0 109.281 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.451 ' O ' ' CE1' ' A' ' 76' ' ' HIS . 10.5 m170 -86.78 162.68 17.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -0.828 . . . . 0.0 109.153 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -79.75 129.67 34.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.905 . . . . 0.0 109.647 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 74' ' ' HIS . 50.2 m80 -130.37 133.58 46.51 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.448 -0.782 . . . . 0.0 109.506 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.9 t60 . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.31 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 56.3 mt-10 -76.01 164.45 26.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.856 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.23 -44.09 97.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.681 -0.637 . . . . 0.0 109.305 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t -66.18 -26.78 67.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.799 . . . . 0.0 109.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.73 -46.23 89.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.84 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 3.2 mp0 -70.09 -36.37 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.154 -0.966 . . . . 0.0 109.262 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.69 -42.11 99.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 108.939 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.37 -40.85 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.37 -44.45 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 109.528 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -55.34 -44.66 76.11 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.168 -0.958 . . . . 0.0 109.803 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' A' ' 47' ' ' TYR . 32.5 ttm105 -58.61 -44.94 90.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 109.303 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.405 HG22 HD11 ' B' ' 12' ' ' ILE . 97.9 mt -66.5 -42.59 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.4 -0.812 . . . . 0.0 109.447 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -44.37 84.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 109.358 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 15' ' ' SER . 92.7 mt -93.73 -3.14 52.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 11' ' ' ARG . 2.9 t 41.13 78.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.352 0.596 . . . . 0.0 110.096 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.95 133.14 52.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.465 -0.772 . . . . 0.0 109.647 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.62 ' HG1' ' H ' ' B' ' 20' ' ' SER . 82.1 p -84.8 159.54 20.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.528 -0.733 . . . . 0.0 110.159 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.98 78.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.567 -0.708 . . . . 0.0 109.497 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -67.64 -43.43 80.34 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.286 -0.883 . . . . 0.0 109.947 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.62 ' H ' ' HG1' ' B' ' 17' ' ' THR . 68.9 m -64.83 -47.07 79.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.856 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.6 -44.11 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 110.026 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.75 98.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.434 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OE2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -66.32 -46.2 77.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.126 -0.984 . . . . 0.0 109.754 -179.444 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.439 ' OE2' ' OE1' ' B' ' 23' ' ' GLU . 75.5 mm-40 -69.8 -39.5 76.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 109.293 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -64.2 -38.28 90.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -0.849 . . . . 0.0 109.346 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.21 24.02 15.63 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.23 164.93 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.499 -1.001 . . . . 0.0 109.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.493 ' HG ' ' H ' ' B' ' 31' ' ' GLN . 19.4 p -75.46 161.28 29.34 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.83 0.824 . . . . 0.0 110.538 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.13 -38.54 90.97 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.176 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.87 -38.44 90.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.374 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.493 ' H ' ' HG ' ' B' ' 28' ' ' SER . 59.6 tt0 -61.69 -41.33 97.42 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 109.114 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.32 -43.09 98.79 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.0 109.602 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.66 -34.79 74.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.0 109.51 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -62.73 -39.91 95.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 109.09 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.62 -43.82 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.495 ' OE1' ' NH1' ' B' ' 11' ' ' ARG . 1.8 mt-10 -70.06 -18.49 63.28 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.96 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -85.23 -2.44 58.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 108.994 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -72.09 144.65 48.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -80.64 -80.33 0.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -99.87 172.77 7.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.404 -0.81 . . . . 0.0 109.864 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.19 149.13 40.79 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.788 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.9 154.1 71.53 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.576 2.184 . . . . 0.0 112.973 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.69 -29.79 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.573 -0.704 . . . . 0.0 110.302 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.8 p -44.98 -35.92 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.318 -0.864 . . . . 0.0 109.353 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.41 -43.17 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.479 -0.763 . . . . 0.0 109.09 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.75 -40.82 96.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -0.866 . . . . 0.0 109.646 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.96 -44.4 97.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.15 -0.969 . . . . 0.0 109.763 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.36 -42.97 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.128 -0.982 . . . . 0.0 108.721 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.505 ' CB ' HH21 ' B' ' 52' ' ' ARG . . . -60.9 -35.48 76.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 0.0 109.341 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.74 -46.63 89.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.312 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.77 -41.87 99.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.942 -1.099 . . . . 0.0 109.141 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.505 HH21 ' CB ' ' B' ' 49' ' ' ALA . 2.0 tmm_? -62.69 -40.32 96.76 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.383 -0.823 . . . . 0.0 109.837 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 29.5 m -58.34 -22.58 53.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.067 -1.02 . . . . 0.0 109.508 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -86.01 3.36 42.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 108.958 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.66 19.57 67.98 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.564 ' C ' ' H ' ' B' ' 58' ' ' LEU . 47.4 t -60.89 146.66 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -1.158 . . . . 0.0 110.183 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.01 37.87 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.686 -0.634 . . . . 0.0 109.802 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' B' ' 56' ' ' VAL . 11.5 tp -63.15 -39.77 95.64 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.381 -0.824 . . . . 0.0 109.273 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.21 -42.05 94.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.149 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.46 83.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.421 -0.8 . . . . 0.0 110.365 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.17 -42.78 95.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.167 -0.958 . . . . 0.0 109.897 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -64.63 -43.6 93.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.908 -1.12 . . . . 0.0 109.669 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -49.83 -39.46 38.79 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.943 -1.098 . . . . 0.0 109.237 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -65.94 -48.4 71.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.164 -0.96 . . . . 0.0 109.009 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.417 HD12 HG22 ' B' ' 65' ' ' ILE . 96.9 mt -67.17 -42.99 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.618 -0.676 . . . . 0.0 110.684 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 89.0 mt -51.96 135.81 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 122.109 0.957 . . . . 0.0 110.81 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.0 p -51.1 100.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.609 0.719 . . . . 0.0 111.117 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -75.79 -44.87 39.22 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.37 -0.831 . . . . 0.0 109.35 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -81.43 141.27 34.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.424 -0.797 . . . . 0.0 110.657 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 40.1 tp -172.8 -72.9 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.43 ' CG ' ' H ' ' B' ' 72' ' ' HIS . 5.6 tp10 -94.16 -129.85 0.14 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.459 -0.776 . . . . 0.0 109.745 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' B' ' 72' ' ' HIS . 2.8 m170 45.32 83.16 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.304 -0.872 . . . . 0.0 109.448 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -62.99 152.42 36.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.396 -0.815 . . . . 0.0 109.969 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 91.02 3.24 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.404 ' CD2' ' C ' ' B' ' 75' ' ' HIS . 0.5 OUTLIER -96.69 35.26 1.54 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.46 170.91 0.06 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.711 0.767 . . . . 0.0 110.527 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' B' ' 77' ' ' HIS . 17.2 t60 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.38 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 121.392 0.615 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.42 -85.86 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.68 -44.81 95.3 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -71.67 -20.4 61.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.77 . . . . 0.0 109.933 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -62.62 -50.72 70.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.144 -0.973 . . . . 0.0 109.803 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.58 -32.2 65.83 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.372 -0.83 . . . . 0.0 108.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 tt -58.49 -47.41 84.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.534 -0.728 . . . . 0.0 109.254 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 56.8 mtpt -63.6 -40.76 97.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 108.862 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.513 ' CG1' ' HE ' ' A' ' 13' ' ' ARG . 83.2 t -61.41 -45.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.649 -0.657 . . . . 0.0 109.901 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.53 -42.37 87.61 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.853 -1.154 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.499 HH11 ' CD ' ' A' ' 36' ' ' GLU . 64.5 ttt180 -60.7 -43.39 97.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.937 . . . . 0.0 109.127 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.01 -44.23 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.762 -0.586 . . . . 0.0 110.055 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' HE ' ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -62.38 -42.93 99.8 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.09 -1.006 . . . . 0.0 108.875 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.2 mt -87.53 -5.61 58.71 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ARG . 60.5 p 38.81 66.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.32 0.581 . . . . 0.0 109.878 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.9 154.31 29.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.466 -0.771 . . . . 0.0 109.939 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.455 ' H ' ' HG1' ' A' ' 17' ' ' THR . 12.6 p -79.04 130.88 35.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.551 -0.718 . . . . 0.0 110.135 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.26 82.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.571 -0.706 . . . . 0.0 109.846 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.01 -45.08 95.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.0 109.856 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -60.05 -45.94 91.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.149 -0.969 . . . . 0.0 109.607 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.09 -47.6 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.321 -0.862 . . . . 0.0 110.339 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.28 86.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.289 -0.882 . . . . 0.0 111.072 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.04 -48.0 69.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.941 -1.1 . . . . 0.0 110.346 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.95 -37.57 75.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.166 -0.959 . . . . 0.0 109.9 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 55.5 mmm -62.82 -38.19 89.77 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.402 -0.811 . . . . 0.0 109.421 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.27 26.32 16.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.1 pt -125.84 161.79 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.657 -0.908 . . . . 0.0 109.54 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 t -76.8 159.61 29.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.453 -0.779 . . . . 0.0 110.333 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -62.34 -34.14 76.07 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.447 -0.783 . . . . 0.0 109.274 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.41 -44.79 76.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.21 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -66.89 -37.31 84.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.875 . . . . 0.0 108.976 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.07 -42.43 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.785 . . . . 0.0 109.315 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.53 -35.81 80.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 108.957 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.85 -36.91 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.104 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.54 -43.46 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.144 -0.972 . . . . 0.0 108.695 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 28.7 mm-40 -56.56 -34.11 66.78 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 38' ' ' SER . 55.9 tp60 -80.12 39.53 0.45 Allowed 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 36' ' ' GLU . 9.6 p -36.99 144.33 0.07 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.561 0.696 . . . . 0.0 111.029 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 40' ' ' THR . 82.9 tt0 -140.36 86.03 2.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.625 -0.672 . . . . 0.0 109.273 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 39' ' ' GLU . 5.5 m 59.93 131.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.51 0.672 . . . . 0.0 109.76 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 151.02 93.3 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.214 -0.929 . . . . 0.0 109.704 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.07 149.81 59.17 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.357 2.038 . . . . 0.0 112.55 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -69.19 -17.24 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.576 -0.703 . . . . 0.0 110.202 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 3.3 m -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.153 -0.967 . . . . 0.0 109.2 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 73.0 t -62.44 -43.72 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.826 . . . . 0.0 109.054 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.27 -40.57 94.61 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.503 -0.748 . . . . 0.0 109.142 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -60.63 -40.89 93.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.4 -44.08 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 0.0 109.295 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.35 83.35 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.072 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.425 ' O ' ' OG ' ' A' ' 53' ' ' SER . 37.5 t80 -60.39 -45.65 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.441 -0.787 . . . . 0.0 109.841 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.3 -42.5 99.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.895 . . . . 0.0 109.319 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -64.8 -19.91 66.09 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 5.7 p -62.95 -36.08 82.27 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.249 -0.907 . . . . 0.0 108.695 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.08 -6.24 42.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.332 -0.855 . . . . 0.0 109.648 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 47.04 5.53 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.035 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.14 -20.51 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.25 . . . . 0.0 109.068 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 76.97 69.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.526 0.679 . . . . 0.0 109.757 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.474 ' H ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 pt? -79.13 -6.06 55.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.53 -0.731 . . . . 0.0 109.224 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -60.99 -45.34 95.21 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.399 -0.813 . . . . 0.0 109.652 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.57 -37.31 79.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.387 -0.821 . . . . 0.0 109.821 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.51 -47.76 84.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.146 -0.971 . . . . 0.0 109.642 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -70.97 -35.43 72.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.925 . . . . 0.0 109.798 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -54.84 -45.71 74.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.209 -0.932 . . . . 0.0 110.394 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.43 -43.81 96.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.87 -1.144 . . . . 0.0 109.278 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.2 mt -69.13 -71.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.376 -0.828 . . . . 0.0 109.912 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 pt -84.75 134.5 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.349 -0.845 . . . . 0.0 109.94 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.6 p -119.81 127.75 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.457 -0.777 . . . . 0.0 109.183 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -157.14 110.73 2.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.187 -0.946 . . . . 0.0 108.989 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.52 145.6 43.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.433 -0.792 . . . . 0.0 110.457 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.3 mm? -90.69 0.69 57.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.526 -0.734 . . . . 0.0 109.084 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 73' ' ' HIS . 25.4 mm-40 -92.56 -24.07 18.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.251 -0.906 . . . . 0.0 109.098 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' A' ' 71' ' ' GLU . 9.4 p-80 22.8 44.18 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.528 0 CA-C-O 121.648 0.737 . . . . 0.0 111.268 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 71' ' ' GLU . 44.6 t60 -95.37 124.34 39.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.447 -0.783 . . . . 0.0 109.507 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 12.2 t-80 43.6 41.84 3.73 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.437 -0.789 . . . . 0.0 109.674 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.3 m80 47.25 -108.73 0.22 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.458 -0.776 . . . . 0.0 110.048 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.514 ' N ' ' ND1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -151.74 162.13 41.52 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.0 109.329 -179.665 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 N--CA 1.5 2.057 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.307 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ttt . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -148.99 -85.39 0.09 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.232 -0.918 . . . . 0.0 109.545 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.04 -49.05 77.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.448 -0.782 . . . . 0.0 110.118 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -67.18 -42.57 84.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.569 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.1 -45.92 86.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.512 -0.743 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.421 ' O ' ' OE2' ' B' ' 10' ' ' GLU . 19.4 tt0 -66.95 -33.29 75.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.094 -1.004 . . . . 0.0 109.171 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.16 -44.36 97.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.468 -0.77 . . . . 0.0 109.273 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.86 -36.49 83.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 108.998 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.82 -45.21 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.59 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' B' ' 6' ' ' GLU . 1.1 mp0 -58.25 -40.5 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.967 -1.083 . . . . 0.0 109.196 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' SER . 25.4 ttp180 -58.53 -45.47 88.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.239 -0.913 . . . . 0.0 109.031 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.38 -42.83 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.847 -0.533 . . . . 0.0 109.896 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -58.87 -44.26 91.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 109.674 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.69 -3.37 46.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.93 . . . . 0.0 108.687 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' ARG . 12.5 t 41.51 77.05 0.06 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.763 -0.586 . . . . 0.0 110.081 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.95 159.18 22.32 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.501 ' H ' ' HG1' ' B' ' 17' ' ' THR . 6.2 p -99.05 133.07 43.85 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.437 0.637 . . . . 0.0 109.717 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.47 86.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.473 -0.767 . . . . 0.0 109.681 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -63.12 -46.04 89.16 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.126 -0.983 . . . . 0.0 110.003 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -64.05 -49.33 72.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.974 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 92.8 t -67.17 -45.84 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.328 -0.858 . . . . 0.0 110.29 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.82 81.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.34 -0.85 . . . . 0.0 110.234 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.82 -42.7 85.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -0.996 . . . . 0.0 110.203 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -71.09 -43.01 68.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.157 -0.965 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 92.2 mtp -66.04 -39.18 89.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.948 -1.095 . . . . 0.0 109.555 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.33 27.94 7.43 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.21 161.83 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.411 -1.053 . . . . 0.0 109.356 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.2 t -73.77 156.7 37.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.536 -0.728 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -63.56 -37.9 89.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.401 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -56.2 -42.31 76.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.406 -0.809 . . . . 0.0 109.019 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -67.19 -39.39 86.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.335 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.25 -43.91 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.154 -0.966 . . . . 0.0 109.213 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -66.18 -33.1 74.99 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 108.804 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.26 -37.78 86.76 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.37 -43.84 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -65.34 -23.63 67.05 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.79 -0.09 57.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.378 -0.826 . . . . 0.0 108.99 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.9 t -56.35 141.5 41.59 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.848 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -110.29 -52.09 2.81 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.612 -0.68 . . . . 0.0 109.951 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 98.6 m -118.03 131.81 56.43 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.5 -0.75 . . . . 0.0 109.364 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.97 152.92 80.08 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.28 151.68 71.82 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.627 2.218 . . . . 0.0 112.516 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.96 -12.37 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.624 -0.672 . . . . 0.0 109.861 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.1 t -59.17 -42.86 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.0 109.443 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.27 -46.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.153 -0.967 . . . . 0.0 109.066 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.59 -39.06 93.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.14 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -43.27 91.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.82 -43.08 96.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.9 73.76 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.483 -0.76 . . . . 0.0 109.195 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.632 ' CZ ' ' NZ ' ' B' ' 54' ' ' LYS . 6.5 t80 -70.34 -28.32 65.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.814 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.417 ' O ' ' CG2' ' B' ' 56' ' ' VAL . 96.9 mt -73.36 -50.69 20.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.728 -1.233 . . . . 0.0 110.189 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -67.11 -21.57 65.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 109.038 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.8 m -59.26 -33.44 71.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.633 -0.667 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' B' ' 50' ' ' PHE . 14.6 mptt -91.32 7.52 40.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.376 -0.827 . . . . 0.0 109.4 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.26 19.72 56.51 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' B' ' 58' ' ' LEU . 60.1 t -59.81 147.32 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -1.149 . . . . 0.0 109.235 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.07 47.82 0.11 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -62.16 -40.68 96.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.496 -0.752 . . . . 0.0 109.116 -179.351 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -59.96 -40.27 88.47 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.77 81.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.552 -0.717 . . . . 0.0 109.57 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.08 -49.18 78.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.207 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -70.83 -35.46 72.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.11 -0.993 . . . . 0.0 109.617 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.68 -43.34 57.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -60.94 -35.36 76.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.961 -1.087 . . . . 0.0 108.673 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.407 HD11 HG23 ' B' ' 65' ' ' ILE . 96.1 mt -81.04 -69.75 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.863 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 33.5 pt -82.4 139.47 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.234 -0.916 . . . . 0.0 110.279 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 t -89.5 114.33 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.209 -0.932 . . . . 0.0 109.226 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.37 104.47 16.35 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.161 -0.962 . . . . 0.0 109.386 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -175.24 150.6 1.17 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.491 -0.756 . . . . 0.0 109.262 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' B' ' 72' ' ' HIS . 48.7 tp -48.93 -72.67 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.266 -0.896 . . . . 0.0 109.963 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.596 ' C ' ' H ' ' B' ' 73' ' ' HIS . 51.4 mt-10 55.08 -115.11 0.92 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.698 -0.626 . . . . 0.0 110.635 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' B' ' 70' ' ' LEU . 37.0 m170 64.5 -31.75 0.13 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.692 -0.63 . . . . 0.0 109.703 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.726 ' CG ' ' H ' ' B' ' 74' ' ' HIS . 2.4 t60 -64.86 -168.38 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.071 -1.018 . . . . 0.0 109.475 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.726 ' H ' ' CG ' ' B' ' 73' ' ' HIS . 22.8 p-80 -35.02 127.78 0.51 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.655 0.741 . . . . 0.0 111.423 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -179.6 4.75 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.44 0.638 . . . . 0.0 109.548 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -72.23 49.56 0.2 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.475 -0.765 . . . . 0.0 109.735 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 77' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.612 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' O ' ' O ' ' A' ' 2' ' ' GLU . 62.2 ttp . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 1' ' ' MET . 77.7 mm-40 58.21 142.93 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.699 0.761 . . . . 0.0 110.634 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.9 -40.56 96.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.663 -0.648 . . . . 0.0 110.16 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -44.75 -55.79 5.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.397 -0.814 . . . . 0.0 110.213 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.56 -40.5 92.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.385 -0.822 . . . . 0.0 110.111 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.77 -48.46 79.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 109.866 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.92 -40.82 98.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 108.654 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.91 -39.19 91.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.44 -0.787 . . . . 0.0 109.328 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.4 -47.24 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.334 -0.854 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -66.31 -37.23 84.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.143 -0.973 . . . . 0.0 108.748 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.4 ttt180 -61.57 -45.93 92.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.589 -0.694 . . . . 0.0 109.658 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.573 -0.704 . . . . 0.0 109.837 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -65.77 -43.2 89.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.319 -0.863 . . . . 0.0 109.407 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.0 mt -90.12 0.8 56.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.308 -0.87 . . . . 0.0 108.932 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' ARG . 24.5 p 35.47 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.493 0.663 . . . . 0.0 110.533 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -109.15 136.66 48.27 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.524 -0.735 . . . . 0.0 109.121 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -88.06 138.97 30.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.449 -0.782 . . . . 0.0 110.48 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.34 90.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.8 -0.562 . . . . 0.0 109.805 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.33 -46.13 88.04 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.074 -1.016 . . . . 0.0 109.599 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -64.81 -46.81 80.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.73 -43.81 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -0.836 . . . . 0.0 109.665 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.11 76.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.496 -0.753 . . . . 0.0 110.148 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -68.79 -35.97 77.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.25 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -46.78 69.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.957 -1.089 . . . . 0.0 109.11 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.9 mtp -63.69 -39.18 93.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.601 -0.687 . . . . 0.0 109.409 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.02 7.12 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -125.68 162.8 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.478 -1.013 . . . . 0.0 109.66 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -71.26 151.82 43.89 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.643 0.735 . . . . 0.0 109.844 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 29' ' ' ARG . 1.9 ttp180 -60.89 -40.57 93.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.741 -0.6 . . . . 0.0 109.758 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -40.23 72.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.0 109.101 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.62 -46.51 78.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.361 -0.837 . . . . 0.0 109.399 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.4 -39.14 91.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.635 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.67 -41.37 81.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.87 . . . . 0.0 109.795 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -63.54 -43.15 97.93 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.194 -0.941 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.45 -44.09 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 109.393 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.53 -31.97 73.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.584 -0.698 . . . . 0.0 110.118 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 38' ' ' SER . 84.9 mt-30 -84.93 -4.68 59.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.997 -1.065 . . . . 0.0 109.736 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 1.4 m 163.11 115.49 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.17 120.19 41.47 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.745 0.783 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.0 p -83.05 166.7 18.54 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.211 -0.931 . . . . 0.0 109.708 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.1 109.06 60.8 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 121.424 -0.798 . . . . 0.0 109.213 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.68 163.24 29.35 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.219 1.946 . . . . 0.0 112.908 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.4 m -62.04 -19.18 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.477 -0.764 . . . . 0.0 109.849 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.44 -43.64 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.992 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.54 -42.65 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.801 . . . . 0.0 109.238 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.71 -42.5 88.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.112 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -47.94 84.08 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -44.05 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.442 -0.786 . . . . 0.0 109.619 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.31 99.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CZ ' ' OE2' ' B' ' 24' ' ' GLU . 46.8 t80 -62.37 -46.35 89.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.497 -0.752 . . . . 0.0 109.743 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.68 -41.32 98.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.195 -0.941 . . . . 0.0 109.356 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -64.62 -36.58 84.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.406 -0.809 . . . . 0.0 109.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 90.8 p -59.53 -21.99 61.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 109.443 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.5 -1.61 55.4 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.26 -0.9 . . . . 0.0 109.352 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.24 24.67 58.85 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.15 -19.66 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.104 -1.233 . . . . 0.0 108.904 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 63.9 83.46 0.16 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.613 0.721 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 58' ' ' LEU . 3.7 mm? -84.47 -4.43 58.93 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 p30 -61.41 -45.0 96.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.52 -0.737 . . . . 0.0 109.184 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -66.57 -44.81 81.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.0 109.737 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.27 -46.34 87.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.232 -0.918 . . . . 0.0 109.874 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.92 -31.52 68.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.355 -0.84 . . . . 0.0 109.439 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -37.27 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 109.072 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.5 -36.36 82.28 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.4 mm -65.0 -44.98 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.1 mt -91.94 97.43 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.258 -0.901 . . . . 0.0 109.613 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.5 t -149.1 -89.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.464 -0.773 . . . . 0.0 109.075 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.687 ' ND2' ' H ' ' A' ' 69' ' ' LYS . 1.2 p-10 -122.58 -63.13 1.3 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.45 -0.782 . . . . 0.0 109.866 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.687 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 93.8 mttt -82.58 147.2 28.74 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.083 -1.011 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.69 67.14 1.17 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -70.7 130.37 41.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 0.0 110.29 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' HIS . 31.2 t-80 -168.56 -65.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' HIS . 1.3 t60 37.56 -113.33 0.11 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.236 0.541 . . . . 0.0 110.793 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -143.69 150.7 39.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.269 -0.894 . . . . 0.0 109.593 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.526 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 7.5 p-80 -159.68 -37.43 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.526 ' N ' ' CD2' ' A' ' 75' ' ' HIS . 14.4 m170 51.68 80.74 0.08 Allowed 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.651 0.739 . . . . 0.0 109.499 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.902 -1.047 . . . . 0.0 109.183 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.6 mpp? . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.312 0.577 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -76.74 161.37 28.55 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.464 -0.772 . . . . 0.0 110.05 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.63 -40.29 96.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.689 . . . . 0.0 109.671 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.3 t -59.24 -47.33 85.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 110.154 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -68.88 -42.22 77.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.189 -0.945 . . . . 0.0 109.782 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.443 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 42.1 mt-10 -65.75 -42.73 90.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.746 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.16 -41.57 98.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.478 -0.764 . . . . 0.0 109.196 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -62.5 -36.73 83.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 0.0 109.636 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.73 -47.12 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 109.705 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 1.7 mp0 -64.27 -38.68 91.92 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.037 -1.04 . . . . 0.0 108.806 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.56 -49.07 76.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.539 -0.726 . . . . 0.0 109.432 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.15 -43.87 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.519 -0.738 . . . . 0.0 109.472 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -60.63 -43.63 97.29 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' B' ' 15' ' ' SER . 88.1 mt -84.58 -4.14 58.82 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.423 ' C ' ' O ' ' B' ' 14' ' ' LEU . 34.8 t 38.19 74.78 0.08 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.802 -0.561 . . . . 0.0 110.376 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -101.61 134.21 45.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.282 -0.886 . . . . 0.0 109.53 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -70.72 136.45 48.97 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.637 0.732 . . . . 0.0 110.364 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.07 84.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.704 -0.623 . . . . 0.0 109.722 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.75 -46.01 91.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.771 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.64 -44.65 95.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.34 -22.7 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.374 -0.829 . . . . 0.0 109.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.34 -30.86 27.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.006 -1.059 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -68.46 -45.11 73.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.568 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.542 ' OE2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.4 -44.44 67.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.285 -0.884 . . . . 0.0 109.659 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 80.5 mtp -68.29 -36.28 79.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 109.49 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.1 48.04 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 pt -117.27 -174.44 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.505 -0.997 . . . . 0.0 109.359 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.641 ' HG ' ' N ' ' B' ' 29' ' ' ARG . 10.1 t -96.6 165.0 12.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.483 -0.761 . . . . 0.0 110.286 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.641 ' N ' ' HG ' ' B' ' 28' ' ' SER . 78.9 mtm180 -63.95 -37.13 86.29 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.419 0.628 . . . . 0.0 109.367 178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -57.37 -43.99 84.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 109.331 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -65.54 -43.71 89.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.74 -42.18 95.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.856 . . . . 0.0 109.173 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -33.23 75.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.438 -0.789 . . . . 0.0 109.882 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.72 -41.05 94.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.17 -0.956 . . . . 0.0 109.569 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.91 -43.71 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.558 ' C ' ' H ' ' B' ' 38' ' ' SER . 0.6 OUTLIER -64.19 -30.3 71.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.459 -0.775 . . . . 0.0 109.795 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -73.37 31.84 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.07 -1.019 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.558 ' H ' ' C ' ' B' ' 36' ' ' GLU . 2.0 m 57.83 81.19 0.15 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.629 -0.67 . . . . 0.0 111.034 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' B' ' 40' ' ' THR . 4.3 tm-20 -100.5 -14.45 18.24 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER 80.74 170.02 0.14 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.215 0.531 . . . . 0.0 110.092 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.77 148.47 39.99 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 0.0 109.895 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.18 160.93 41.7 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.893 2.395 . . . . 0.0 112.611 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 m -65.21 -19.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.388 -0.82 . . . . 0.0 109.714 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.07 -42.42 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.263 -0.898 . . . . 0.0 108.666 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -43.43 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 108.878 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -62.36 -37.01 84.02 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.193 -0.942 . . . . 0.0 109.806 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -60.29 -52.51 64.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.048 -1.033 . . . . 0.0 110.338 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 pt -63.86 -27.46 42.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.086 -1.009 . . . . 0.0 108.49 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.22 93.36 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.437 ' O ' ' OG ' ' B' ' 53' ' ' SER . 59.3 t80 -59.12 -45.04 91.95 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.99 -38.2 90.22 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.48 -21.07 65.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.269 -0.894 . . . . 0.0 109.056 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' B' ' 50' ' ' PHE . 63.4 p -58.44 -33.25 69.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.159 -0.963 . . . . 0.0 108.453 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -91.54 -0.31 57.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.74 29.38 35.46 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' B' ' 58' ' ' LEU . 83.4 t -63.38 123.79 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.322 . . . . 0.0 109.117 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.08 68.28 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.528 -0.733 . . . . 0.0 110.426 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.7 tp -65.53 -38.47 89.74 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.4 OUTLIER -45.8 -40.68 9.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.532 -0.73 . . . . 0.0 109.287 -179.364 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.11 83.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.501 -0.749 . . . . 0.0 109.93 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.07 -43.64 98.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.346 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.61 -40.91 84.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -66.53 -19.21 65.73 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.3 -0.875 . . . . 0.0 109.639 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -89.68 -23.07 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.202 -0.936 . . . . 0.0 109.866 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -82.59 -21.36 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.136 -0.977 . . . . 0.0 110.46 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' B' ' 67' ' ' VAL . 36.9 pt -77.08 -9.04 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.028 -1.045 . . . . 0.0 109.814 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' B' ' 66' ' ' ILE . 31.0 m -43.28 166.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.323 -0.861 . . . . 0.0 110.463 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.27 147.99 15.6 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.551 0.691 . . . . 0.0 110.624 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 57.48 101.35 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.723 0.773 . . . . 0.0 110.101 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.533 ' O ' ' ND1' ' B' ' 72' ' ' HIS . 83.7 mt -85.91 -7.26 58.81 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 60.19 -0.27 0.25 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' B' ' 70' ' ' LEU . 1.1 m80 -82.35 141.66 32.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.052 -1.03 . . . . 0.0 110.057 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -155.02 177.05 11.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.331 -0.856 . . . . 0.0 108.792 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' B' ' 74' ' ' HIS . 12.6 p-80 -53.23 126.14 19.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.949 . . . . 0.0 110.117 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.658 ' HE2' ' CE1' ' B' ' 77' ' ' HIS . 13.8 t60 -160.9 167.03 27.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.443 -0.786 . . . . 0.0 109.178 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.614 ' N ' ' CG ' ' B' ' 75' ' ' HIS . 0.2 OUTLIER -166.14 100.64 0.63 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.571 -0.706 . . . . 0.0 109.139 179.296 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.658 ' CE1' ' HE2' ' B' ' 75' ' ' HIS . 74.3 m-70 . . . . . 0 N--CA 1.499 1.982 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.442 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.442 0.639 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -83.9 171.63 12.86 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.852 . . . . 0.0 110.503 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.4 -39.87 95.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.499 -0.75 . . . . 0.0 110.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 p -57.97 -41.04 82.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.026 -1.046 . . . . 0.0 110.292 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.479 ' C ' HD21 ' A' ' 5' ' ' ASN . 0.1 OUTLIER -64.57 -46.9 80.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.029 -1.044 . . . . 0.0 109.835 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.23 -37.16 77.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.86 . . . . 0.0 109.168 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.39 -41.91 98.78 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.309 -0.869 . . . . 0.0 109.391 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.5 -41.66 98.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.961 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.08 -44.45 98.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.79 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -58.74 -41.77 87.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.545 HH22 ' CD ' ' A' ' 36' ' ' GLU . 36.7 ttm180 -56.58 -46.58 80.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 0.0 108.723 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.16 -42.72 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.655 -0.653 . . . . 0.0 109.412 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.1 ttm-85 -55.39 -44.97 76.62 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 0.0 110.011 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -102.78 2.51 35.68 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 108.874 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 11' ' ' ARG . 16.2 m 42.19 82.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.3 mp -106.17 153.43 22.12 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 121.597 0.713 . . . . 0.0 109.804 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 45.9 p -112.35 144.16 42.24 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.459 0.647 . . . . 0.0 109.81 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.42 87.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.463 -0.773 . . . . 0.0 109.633 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -63.4 -44.31 95.05 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.003 -1.06 . . . . 0.0 109.816 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 71.5 m -62.18 -47.39 84.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.185 -0.947 . . . . 0.0 109.929 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.04 -43.76 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.925 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.77 95.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.401 -0.812 . . . . 0.0 110.499 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -68.24 -40.29 82.05 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.008 -1.058 . . . . 0.0 109.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -72.97 -43.31 62.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 109.943 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.9 mmm -64.84 -39.15 93.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 109.966 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.83 23.13 14.06 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -124.73 162.85 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.225 0 O-C-N 121.44 -1.035 . . . . 0.0 109.928 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.4 p -79.07 166.29 22.46 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 110.008 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.48 -35.66 81.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.466 -0.771 . . . . 0.0 108.935 179.411 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.64 -45.47 77.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.262 -0.899 . . . . 0.0 109.459 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -64.01 -43.25 96.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.347 -0.846 . . . . 0.0 109.071 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.49 -39.84 95.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.422 -0.799 . . . . 0.0 108.977 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.41 74.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 109.82 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -61.89 -41.07 97.46 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.317 -0.864 . . . . 0.0 109.139 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.1 -44.33 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.313 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.545 ' CD ' HH22 ' A' ' 11' ' ' ARG . 69.8 tt0 -69.48 -13.01 62.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.0 108.552 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -72.02 38.37 0.07 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.861 -1.149 . . . . 0.0 109.381 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.535 ' H ' ' C ' ' A' ' 36' ' ' GLU . 47.1 t 48.45 -105.42 0.15 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.451 -0.781 . . . . 0.0 110.887 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 38' ' ' SER . 64.3 mm-40 59.17 142.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.879 0.847 . . . . 0.0 110.086 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -62.56 139.55 58.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.59 0.71 . . . . 0.0 110.069 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.32 93.29 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.533 -0.73 . . . . 0.0 110.024 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.53 154.79 72.15 Favored 'Trans proline' 0 N--CA 1.502 1.996 0 C-N-CA 123.023 2.482 . . . . 0.0 113.183 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.36 -23.44 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 110.125 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 3.1 m -58.64 -40.43 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.904 -1.123 . . . . 0.0 108.975 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 51.7 t -63.06 -44.26 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.409 -0.807 . . . . 0.0 109.212 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -61.62 -41.23 97.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.377 -0.827 . . . . 0.0 108.807 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -44.29 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 108.813 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HG22 ' A' ' 48' ' ' ILE . 93.4 mt -62.81 -42.84 97.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.425 -0.797 . . . . 0.0 109.038 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.68 68.15 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.21 -0.931 . . . . 0.0 109.587 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 6.3 t80 -62.32 -45.7 92.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 108.97 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.69 -36.71 81.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.245 -0.91 . . . . 0.0 109.281 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.81 -40.57 88.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.6 m -55.17 -30.42 59.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.538 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 14.6 mptt -83.13 2.6 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.279 -0.888 . . . . 0.0 109.014 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.09 24.78 60.9 Favored Glycine 0 N--CA 1.492 2.404 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.64 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.66 135.33 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.788 -1.419 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' O ' ' OD1' ' A' ' 57' ' ' ASP . 1.2 p30 -76.85 93.71 3.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 0.0 110.075 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.25 -12.83 51.59 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 32.9 p-10 -63.44 -45.61 90.09 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -0.828 . . . . 0.0 110.116 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -70.72 -40.63 72.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.123 -0.986 . . . . 0.0 110.249 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 tt -62.36 -48.39 80.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.908 . . . . 0.0 109.816 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.18 -35.59 74.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.36 -0.838 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.6 -48.53 80.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.951 -1.093 . . . . 0.0 111.645 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -62.61 -41.95 99.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.595 -1.316 . . . . 0.0 110.153 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.57 -43.46 98.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.157 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.404 HD13 HG22 ' A' ' 66' ' ' ILE . 95.6 mt -61.79 -72.7 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.017 -1.052 . . . . 0.0 110.796 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 m -76.2 129.64 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.161 -0.962 . . . . 0.0 111.166 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -100.28 -17.88 17.09 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 46.6 tttp -69.06 167.69 15.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.643 -0.661 . . . . 0.0 110.219 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' LYS . 2.8 tp 80.24 38.67 0.09 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -130.7 -163.68 1.34 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.518 -0.738 . . . . 0.0 109.776 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -40.8 -79.72 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.504 -0.747 . . . . 0.0 110.855 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 73' ' ' HIS . 43.0 t-80 -172.96 53.52 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m170 46.36 -162.37 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.364 -0.835 . . . . 0.0 109.848 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -133.54 134.76 43.79 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.6 0.714 . . . . 0.0 109.465 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.455 ' O ' ' OXT' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -84.01 159.86 21.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.57 -0.706 . . . . 0.0 109.461 -179.52 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.455 ' OXT' ' O ' ' A' ' 76' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.885 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.563 ' SD ' ' ND2' ' B' ' 5' ' ' ASN . 65.3 mtt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.342 0.592 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 28.0 tt0 -78.72 165.05 24.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.401 -0.812 . . . . 0.0 110.176 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 2' ' ' GLU . 47.7 tp -60.3 -44.7 95.18 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.455 -0.778 . . . . 0.0 110.293 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t -61.29 -34.61 75.49 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.563 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 9.8 t30 -61.45 -43.86 98.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 111.387 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 26.1 mp0 -69.77 -43.24 72.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.712 -1.243 . . . . 0.0 110.254 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.96 -39.71 93.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.958 -1.089 . . . . 0.0 109.032 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.95 -45.11 95.09 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.104 -0.998 . . . . 0.0 109.794 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.0 -45.88 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.23 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.595 ' CD ' HH21 ' B' ' 13' ' ' ARG . 74.4 mm-40 -62.58 -37.6 86.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 109.308 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' B' ' 15' ' ' SER . 8.9 ttt180 -60.69 -42.71 97.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.83 -44.49 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.486 -0.759 . . . . 0.0 109.519 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.595 HH21 ' CD ' ' B' ' 10' ' ' GLU . 56.3 mtm180 -65.13 -40.46 94.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.415 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 15' ' ' SER . 86.3 mt -89.59 -5.8 56.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 11' ' ' ARG . 60.1 p 38.97 61.13 1.31 Allowed 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.145 0.498 . . . . 0.0 109.859 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.8 mt -104.32 125.25 50.4 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.486 -0.758 . . . . 0.0 109.526 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.489 ' H ' ' HG1' ' B' ' 17' ' ' THR . 11.5 p -87.64 162.91 16.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.353 -0.842 . . . . 0.0 110.528 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.98 81.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.688 -0.632 . . . . 0.0 109.506 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.97 -44.87 95.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.068 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.9 t -61.63 -48.03 82.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -0.966 . . . . 0.0 110.221 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.07 -43.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.7 -30.28 70.65 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.352 -0.842 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.054 -1.029 . . . . 0.0 108.876 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.23 -46.65 17.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 109.534 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -65.0 -39.58 93.67 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.596 -0.69 . . . . 0.0 109.485 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.43 31.84 26.67 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.61 168.21 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.465 -1.021 . . . . 0.0 109.863 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -68.98 152.77 44.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -63.96 -39.23 93.67 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -40.43 91.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.505 -0.747 . . . . 0.0 109.77 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -58.36 -41.98 85.91 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.266 -0.896 . . . . 0.0 109.391 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.2 -41.52 99.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.195 -0.941 . . . . 0.0 108.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.44 -33.68 74.13 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.37 -0.831 . . . . 0.0 109.182 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.65 -38.54 90.7 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.422 -0.799 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.59 -44.15 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.188 -0.945 . . . . 0.0 108.936 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.52 -30.61 64.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -93.81 12.57 25.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.226 -0.921 . . . . 0.0 109.565 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -68.77 155.4 40.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.481 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.428 ' C ' ' HG1' ' B' ' 40' ' ' THR . 3.5 pt-20 -69.28 -37.47 77.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.518 -0.739 . . . . 0.0 109.908 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.428 ' HG1' ' C ' ' B' ' 39' ' ' GLU . 86.0 m -166.52 166.9 16.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.988 -1.07 . . . . 0.0 109.577 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' B' ' 40' ' ' THR . . . -84.8 153.33 60.68 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 109.407 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.95 155.32 64.94 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.775 2.317 . . . . 0.0 112.793 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.21 -27.14 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.408 -0.808 . . . . 0.0 110.382 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' B' ' 45' ' ' VAL . 9.7 p -53.98 -37.11 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.065 -1.022 . . . . 0.0 109.103 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' B' ' 44' ' ' VAL . 69.4 t -64.08 -44.33 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.338 -0.851 . . . . 0.0 108.952 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.35 -38.03 87.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.302 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -59.15 -48.56 81.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.0 108.796 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.15 -42.06 94.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -37.28 67.47 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.436 -0.79 . . . . 0.0 109.027 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.57 -45.1 95.18 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.4 -41.44 98.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.604 -0.685 . . . . 0.0 109.316 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.404 HH21 ' HA2' ' B' ' 55' ' ' GLY . 0.8 OUTLIER -66.92 -25.88 66.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.046 -1.034 . . . . 0.0 109.087 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -63.91 -23.16 67.24 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.057 -1.027 . . . . 0.0 109.146 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.77 2.11 56.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.028 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . 0.404 ' HA2' HH21 ' B' ' 52' ' ' ARG . . . 86.02 25.92 36.0 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.9 t -68.6 129.99 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.787 -1.419 . . . . 0.0 109.089 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -58.25 100.15 0.06 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.411 -0.805 . . . . 0.0 111.07 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -15.88 28.19 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.567 ' OD1' ' N ' ' B' ' 60' ' ' ALA . 31.9 p30 -66.03 -39.78 90.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.274 -0.891 . . . . 0.0 110.498 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.567 ' N ' ' OD1' ' B' ' 59' ' ' ASN . . . -83.36 -31.58 26.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.129 -0.982 . . . . 0.0 109.833 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.7 -44.08 97.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.111 -0.993 . . . . 0.0 109.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.84 -33.14 24.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.356 -0.84 . . . . 0.0 110.967 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.56 -42.7 99.23 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.864 -1.148 . . . . 0.0 110.377 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -62.12 -40.88 97.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.963 . . . . 0.0 109.715 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.03 -43.45 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.458 ' O ' ' O ' ' B' ' 67' ' ' VAL . 72.6 mt -68.27 -99.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.926 -1.109 . . . . 0.0 110.052 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' B' ' 66' ' ' ILE . 10.4 t 56.62 121.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 CA-C-O 121.633 0.73 . . . . 0.0 110.433 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -82.21 -154.52 0.13 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 110.28 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.84 98.99 8.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.474 -0.766 . . . . 0.0 109.992 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 tt -132.27 -65.88 0.72 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.517 ' O ' ' ND1' ' B' ' 72' ' ' HIS . 11.2 pt-20 -107.82 48.18 0.86 Allowed 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' B' ' 71' ' ' GLU . 0.7 OUTLIER -149.47 171.68 16.2 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 122.051 0.929 . . . . 0.0 109.903 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' B' ' 73' ' ' HIS . 0.3 OUTLIER -157.42 60.02 0.5 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 25.3 m80 47.68 -115.37 0.66 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.667 -0.646 . . . . 0.0 110.09 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.452 ' C ' ' ND1' ' B' ' 75' ' ' HIS . 0.3 OUTLIER -137.39 -97.22 0.2 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.363 -0.836 . . . . 0.0 108.846 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' B' ' 75' ' ' HIS . 0.0 OUTLIER -155.13 23.9 0.43 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.062 -1.024 . . . . 0.0 108.65 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 73.3 m80 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.064 179.57 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 2' ' ' GLU . 3.8 tpt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' MET . 59.9 tt0 60.24 122.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.802 0.81 . . . . 0.0 109.673 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.71 -41.97 98.02 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.669 0.747 . . . . 0.0 110.27 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.4 m -60.21 -40.38 89.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.627 0.727 . . . . 0.0 110.338 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.86 -41.27 99.31 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.459 -0.776 . . . . 0.0 110.382 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.8 -35.87 81.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.333 -0.855 . . . . 0.0 109.938 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.74 -43.27 99.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.33 -0.856 . . . . 0.0 110.052 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.99 -40.25 87.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.742 . . . . 0.0 109.764 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.55 -44.76 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.445 -0.784 . . . . 0.0 109.885 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' A' ' 13' ' ' ARG . 46.8 mm-40 -60.77 -42.05 96.71 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.276 -0.89 . . . . 0.0 109.13 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' NH2' ' OE2' ' A' ' 36' ' ' GLU . 3.1 tpp85 -63.99 -47.93 78.42 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.162 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.26 -43.19 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.555 0.693 . . . . 0.0 109.755 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 54.3 ttp180 -61.63 -41.17 97.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.738 0.78 . . . . 0.0 109.002 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 mt -85.36 -6.49 59.23 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.808 0.813 . . . . 0.0 108.853 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t 42.1 70.65 0.26 Allowed 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.719 0.771 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.49 135.32 49.16 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.673 0.749 . . . . 0.0 110.026 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.44 ' H ' ' HG1' ' A' ' 17' ' ' THR . 7.7 p -80.05 147.91 31.29 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.79 0.805 . . . . 0.0 109.954 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -36.31 66.51 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.596 0.712 . . . . 0.0 109.589 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.546 ' HZ3' HH11 ' A' ' 29' ' ' ARG . 13.4 ttmm -61.21 -47.61 85.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.631 -0.668 . . . . 0.0 109.972 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -63.97 -47.61 79.72 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.476 0.655 . . . . 0.0 109.902 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.18 -43.95 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.69 0.757 . . . . 0.0 109.796 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.41 77.07 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.559 0.695 . . . . 0.0 109.525 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.05 -46.56 80.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.651 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.88 55.77 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.091 -1.005 . . . . 0.0 109.538 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.42 -40.45 93.35 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.66 0.743 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.42 30.26 11.06 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.94 167.56 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.493 -1.004 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -74.23 158.14 34.62 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.98 0.895 . . . . 0.0 110.306 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.546 HH11 ' HZ3' ' A' ' 19' ' ' LYS . 11.5 mtm180 -64.24 -35.7 81.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.87 -39.9 94.28 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 121.558 0.694 . . . . 0.0 109.278 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -58.24 -44.34 88.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.47 -0.769 . . . . 0.0 109.006 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.16 -43.81 94.05 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.755 0.788 . . . . 0.0 109.115 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -34.48 78.2 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.871 0.843 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.05 -36.53 84.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.635 0.731 . . . . 0.0 109.127 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.13 -42.77 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.534 -0.729 . . . . 0.0 109.237 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 82.9 mt-10 -61.55 -35.21 77.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.411 -0.806 . . . . 0.0 109.715 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.63 3.58 47.18 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.307 -0.871 . . . . 0.0 109.385 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 t -66.08 144.25 56.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.393 -0.817 . . . . 0.0 110.458 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.5 -93.22 0.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.63 0.728 . . . . 0.0 109.648 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.0 m -81.59 164.12 22.12 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.673 0.749 . . . . 0.0 110.38 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.07 158.68 41.21 Favored Pre-proline 0 N--CA 1.492 1.67 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.37 160.82 47.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.608 2.205 . . . . 0.0 112.834 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.76 -21.29 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.458 0.646 . . . . 0.0 109.549 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.61 -44.92 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.453 -0.779 . . . . 0.0 109.402 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.94 -41.79 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.606 -0.684 . . . . 0.0 109.433 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.06 -43.0 99.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.52 -0.737 . . . . 0.0 109.686 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -62.53 -42.9 99.82 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.117 0.961 . . . . 0.0 109.006 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.26 -42.31 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.91 71.29 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.595 ' CD2' ' NZ ' ' A' ' 54' ' ' LYS . 11.9 t80 -60.8 -47.32 86.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.269 -0.894 . . . . 0.0 108.724 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -65.85 -38.34 88.58 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.82 0.819 . . . . 0.0 109.253 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.489 ' HE ' ' CD1' ' A' ' 58' ' ' LEU . 9.8 tpp85 -61.58 -45.48 93.92 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.566 0.698 . . . . 0.0 110.784 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.3 t -57.05 -16.73 7.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.485 -0.759 . . . . 0.0 110.25 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.595 ' NZ ' ' CD2' ' A' ' 50' ' ' PHE . 62.3 mttp -99.79 11.4 39.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.161 -0.962 . . . . 0.0 109.358 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.24 34.38 85.54 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.42 -20.97 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.972 -1.31 . . . . 0.0 109.29 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.14 103.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.839 0.828 . . . . 0.0 110.253 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' CD1' ' HE ' ' A' ' 52' ' ' ARG . 15.2 mt -91.57 -2.42 57.14 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -60.95 -44.69 96.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.473 -0.767 . . . . 0.0 109.597 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.48 67.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.462 -0.774 . . . . 0.0 109.879 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.1 -55.32 30.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.392 -0.817 . . . . 0.0 110.453 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -70.23 -37.27 74.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.455 -0.778 . . . . 0.0 110.435 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -55.21 -34.19 63.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -62.54 -50.57 70.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.351 -0.843 . . . . 0.0 110.174 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.54 -42.69 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.856 . . . . 0.0 109.959 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.34 127.1 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.285 -0.884 . . . . 0.0 110.037 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.2 m -95.08 -11.01 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 CA-C-O 121.471 0.653 . . . . 0.0 109.44 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.528 ' C ' ' OD1' ' A' ' 68' ' ' ASN . 0.3 OUTLIER -59.12 -44.66 92.01 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.265 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' A' ' 68' ' ' ASN . 88.7 tttt 53.51 116.47 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.369 1.081 . . . . 0.0 110.646 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' A' ' 72' ' ' HIS . 99.6 mt -63.38 -37.37 87.02 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.411 -0.806 . . . . 0.0 109.508 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 65.96 -4.48 0.63 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.643 0.735 . . . . 0.0 109.466 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.532 ' H ' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -79.05 143.39 35.66 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.394 -0.816 . . . . 0.0 109.152 179.579 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.469 ' C ' ' ND1' ' A' ' 73' ' ' HIS . 5.0 p80 -157.81 165.29 35.7 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.63 -0.669 . . . . 0.0 109.385 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -113.63 113.68 25.37 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.535 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 28.0 m170 39.9 -140.0 0.07 Allowed 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.355 0.598 . . . . 0.0 110.349 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' 75' ' ' HIS . 6.4 m-70 -134.14 159.27 41.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.614 -0.679 . . . . 0.0 109.199 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.613 ' N ' ' ND1' ' A' ' 77' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.624 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.632 0.729 . . . . 0.0 109.139 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -77.31 171.5 14.76 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 122.028 0.918 . . . . 0.0 110.489 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.15 -41.79 99.34 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.447 0.641 . . . . 0.0 109.944 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.447 ' HG ' ' H ' ' B' ' 5' ' ' ASN . 77.6 p -62.75 -43.77 97.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.52 -0.737 . . . . 0.0 109.862 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.447 ' H ' ' HG ' ' B' ' 4' ' ' SER . 8.9 t30 -72.75 -46.54 52.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.46 -0.775 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.456 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 2.4 tt0 -66.88 -43.13 84.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.61 -42.29 98.67 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.626 0.727 . . . . 0.0 109.845 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.26 -40.14 95.39 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 45.6 t -59.61 -44.03 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.607 -0.683 . . . . 0.0 109.875 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 4.1 mp0 -63.31 -35.82 81.63 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.219 -0.926 . . . . 0.0 109.708 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' B' ' 15' ' ' SER . 9.7 ttm180 -59.66 -42.13 92.13 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.25 -0.907 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.84 -42.03 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 109.001 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -51.13 -44.55 61.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 0.0 108.634 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 mt -98.91 0.39 43.99 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.475 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.3 m 39.2 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.495 0.664 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -109.11 133.31 53.17 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.721 0.772 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.416 ' HG1' ' H ' ' B' ' 20' ' ' SER . 81.3 p -84.96 153.29 22.89 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.854 0.835 . . . . 0.0 110.014 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.2 -36.99 80.43 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.727 0.775 . . . . 0.0 109.612 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.01 -41.98 99.72 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.488 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.416 ' H ' ' HG1' ' B' ' 17' ' ' THR . 72.3 m -60.49 -47.14 87.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 109.357 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.1 t -64.81 -44.73 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.379 -0.826 . . . . 0.0 109.826 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.07 -24.72 67.54 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 109.371 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.65 -44.71 81.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.433 -0.792 . . . . 0.0 109.505 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.7 -55.31 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.784 0.802 . . . . 0.0 110.105 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mtp -65.3 -40.45 93.81 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.591 0.71 . . . . 0.0 109.709 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.79 5.55 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 34.7 pt -123.26 162.82 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.621 -0.929 . . . . 0.0 109.994 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -67.54 150.06 49.32 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 122.108 0.956 . . . . 0.0 110.296 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 mtm-85 -63.54 -37.23 86.54 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.265 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.53 -37.27 86.96 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.699 0.762 . . . . 0.0 109.063 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.1 -39.93 87.88 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.645 0.736 . . . . 0.0 109.024 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.72 -41.2 98.11 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.789 0.804 . . . . 0.0 109.62 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 89.4 m -63.77 -34.87 78.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 109.578 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.87 -40.39 95.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.428 -0.795 . . . . 0.0 109.18 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.7 -43.37 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.768 . . . . 0.0 109.406 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.404 ' CD ' HH21 ' B' ' 11' ' ' ARG . 28.5 tp10 -68.19 -30.98 70.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.602 -0.687 . . . . 0.0 109.749 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -85.19 0.28 52.29 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.289 -0.882 . . . . 0.0 109.655 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 56.4 m -88.09 117.6 27.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.24 -0.913 . . . . 0.0 109.905 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -95.34 -9.78 31.96 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.2 p -106.84 135.72 47.91 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.418 -0.801 . . . . 0.0 109.771 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.96 150.01 39.86 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.886 -0.509 . . . . 0.0 109.921 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.85 160.11 50.43 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 123.081 2.521 . . . . 0.0 113.216 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -64.46 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.392 0.615 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -48.34 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.304 -0.873 . . . . 0.0 109.929 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.2 -43.5 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.402 -0.811 . . . . 0.0 109.559 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -62.07 -39.57 92.87 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.715 0.769 . . . . 0.0 109.209 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.418 ' OH ' ' NE ' ' A' ' 11' ' ' ARG . 68.8 t80 -62.09 -42.02 98.79 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.76 0.791 . . . . 0.0 109.438 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.27 -42.96 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 121.84 0.828 . . . . 0.0 108.901 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.12 74.21 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.616 0.722 . . . . 0.0 109.578 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.19 -40.6 96.57 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.66 -40.76 88.81 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.269 -0.894 . . . . 0.0 108.637 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.458 HH21 ' CD1' ' A' ' 70' ' ' LEU . 11.3 tpt180 -60.7 -35.79 77.17 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.275 -0.891 . . . . 0.0 108.751 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -56.06 -21.49 22.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 108.84 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -99.39 -3.73 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 38.17 24.26 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 49.1 t -71.37 -19.71 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.266 -1.138 . . . . 0.0 109.217 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.28 67.47 0.94 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.445 0.641 . . . . 0.0 109.962 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 5.94 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.943 . . . . 0.0 109.062 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.04 -42.17 98.9 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.874 0.845 . . . . 0.0 108.985 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.455 ' CB ' HH21 ' B' ' 64' ' ' ARG . . . -79.31 -22.09 45.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.551 -0.718 . . . . 0.0 109.376 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 55.9 tp -63.59 -49.42 73.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.497 -0.752 . . . . 0.0 109.895 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -72.17 -42.94 65.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 109.385 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.01 -19.24 51.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 108.399 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.455 HH21 ' CB ' ' B' ' 60' ' ' ALA . 4.1 tpp85 -66.45 -42.33 87.78 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.838 0.828 . . . . 0.0 109.086 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' B' ' 66' ' ' ILE . 96.3 mt -87.46 -48.03 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 -178.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' B' ' 65' ' ' ILE . 96.5 mt -39.67 123.82 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 CA-C-O 122.027 0.918 . . . . 0.0 110.841 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.409 ' O ' ' CG ' ' B' ' 68' ' ' ASN . 27.4 m -71.1 170.77 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-O 122.062 0.934 . . . . 0.0 111.269 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.514 ' C ' ' ND2' ' B' ' 68' ' ' ASN . 0.1 OUTLIER 58.01 136.13 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.021 0.915 . . . . 0.0 111.327 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -90.61 116.32 28.41 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.672 0.749 . . . . 0.0 109.824 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.29 145.92 43.59 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.755 0.788 . . . . 0.0 110.318 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -55.82 116.06 2.73 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.694 0.759 . . . . 0.0 109.113 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -158.48 89.11 0.95 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.452 -0.78 . . . . 0.0 109.458 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.56 -167.8 2.62 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.55 0.691 . . . . 0.0 109.611 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.451 ' N ' ' CD2' ' B' ' 74' ' ' HIS . 0.3 OUTLIER -171.87 81.37 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.609 0.719 . . . . 0.0 109.502 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' B' ' 77' ' ' HIS . 21.5 t-160 44.49 90.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.804 0.812 . . . . 0.0 110.064 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -42.01 92.28 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.643 0.735 . . . . 0.0 110.336 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 75' ' ' HIS . 3.7 t-80 . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 118.12 -0.943 . . . . 0.0 108.804 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 tpp . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -84.37 -171.1 3.43 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.521 0.677 . . . . 0.0 109.99 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -51.71 67.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.514 -0.741 . . . . 0.0 110.25 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -68.35 -32.69 72.97 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.784 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.39 -42.97 98.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.677 -0.639 . . . . 0.0 110.211 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 40.5 mt-10 -66.11 -38.54 88.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.2 tp -62.96 -40.96 99.29 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.456 0.646 . . . . 0.0 109.808 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.96 -37.54 87.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.481 -0.762 . . . . 0.0 109.638 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.36 -44.99 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.749 -0.595 . . . . 0.0 109.68 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 1.3 mp0 -67.14 -38.82 86.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.576 -0.702 . . . . 0.0 109.19 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 36' ' ' GLU . 62.1 ttp180 -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.58 -41.95 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.508 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -58.47 -43.77 89.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.51 -0.744 . . . . 0.0 109.341 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' SER . 97.6 mt -92.05 -3.61 55.55 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LEU . 32.3 t 39.82 70.6 0.22 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.79 0.805 . . . . 0.0 110.163 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -103.75 134.9 46.29 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.822 0.82 . . . . 0.0 110.227 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.433 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 18.2 p -74.81 138.49 42.63 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 122.015 0.912 . . . . 0.0 109.895 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.74 -37.29 87.1 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.381 0.61 . . . . 0.0 109.536 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' CB ' HH21 ' A' ' 29' ' ' ARG . 88.2 tttt -62.76 -43.49 98.66 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.325 0.583 . . . . 0.0 109.726 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.433 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 79.4 p -60.23 -50.26 74.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.539 -0.725 . . . . 0.0 110.148 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.53 -42.71 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.686 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.38 85.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.638 -0.664 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -67.85 -39.14 83.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.544 -0.722 . . . . 0.0 109.765 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.22 -41.71 85.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.444 -0.785 . . . . 0.0 109.692 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mtp -66.14 -37.83 86.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.728 -0.608 . . . . 0.0 109.541 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.62 15.2 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -126.21 165.37 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.655 -0.909 . . . . 0.0 110.038 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -87.49 171.09 10.79 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.818 0.818 . . . . 0.0 109.982 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.433 HH21 ' CB ' ' A' ' 19' ' ' LYS . 62.6 mtt180 -62.17 -36.07 80.74 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.289 0.566 . . . . 0.0 109.702 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -46.37 -51.06 15.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.56 -0.712 . . . . 0.0 109.453 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -71.23 -37.03 72.04 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.533 0.682 . . . . 0.0 109.826 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.18 -43.32 99.1 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.594 0.711 . . . . 0.0 109.815 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.12 -36.03 77.07 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.492 0.663 . . . . 0.0 109.754 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -64.15 -38.62 91.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.759 -0.588 . . . . 0.0 109.758 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -62.51 -43.18 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.583 -0.698 . . . . 0.0 109.761 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 19.3 tt0 -61.35 -35.31 77.07 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.39 19.47 0.98 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.561 ' O ' ' N ' ' A' ' 40' ' ' THR . 69.7 m -80.03 -5.6 56.1 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 53.47 -78.18 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.232 0.539 . . . . 0.0 110.41 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 38' ' ' SER . 64.6 p -96.11 165.67 12.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.73 0.776 . . . . 0.0 109.964 -179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.43 161.36 34.75 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.753 -0.592 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.01 150.18 48.13 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.43 2.086 . . . . 0.0 112.764 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.08 -20.64 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.577 -0.702 . . . . 0.0 109.371 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 t -64.65 -42.28 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.508 -0.745 . . . . 0.0 109.05 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.11 -45.1 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.43 -36.79 83.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.576 -0.703 . . . . 0.0 109.213 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.35 -53.55 56.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.632 -0.667 . . . . 0.0 109.686 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 pt -67.1 -28.53 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.363 -0.836 . . . . 0.0 109.126 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.16 84.46 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.527 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 73.6 t80 -61.68 -45.37 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -38.43 91.08 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -61.91 -40.73 96.47 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.676 -0.64 . . . . 0.0 109.363 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 94.6 p -62.46 -21.52 65.51 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.546 -0.721 . . . . 0.0 109.118 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 30.7 mmtp -84.17 6.73 21.39 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.99 13.14 78.25 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.79 134.0 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.311 -1.111 . . . . 0.0 109.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -70.1 79.6 0.5 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 122.059 0.933 . . . . 0.0 109.709 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.9 tp -92.33 -33.39 14.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -62.33 -47.06 85.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.561 -0.712 . . . . 0.0 109.989 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.69 74.97 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.633 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.98 -44.55 91.61 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.695 -0.628 . . . . 0.0 109.552 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 65' ' ' ILE . 8.2 m-85 -73.13 -50.38 23.01 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.551 -0.718 . . . . 0.0 109.875 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -41.22 -37.52 0.95 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.771 -0.581 . . . . 0.0 110.915 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.455 HH11 ' HB3' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -82.37 -25.07 34.14 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.724 -1.235 . . . . 0.0 110.051 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' PHE . 5.0 mm -67.97 -42.71 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.638 -0.664 . . . . 0.0 109.588 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.9 pt -71.21 -10.99 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 CA-C-O 121.427 0.632 . . . . 0.0 109.706 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 64' ' ' ARG . 5.5 p -48.4 137.78 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-O 121.937 0.875 . . . . 0.0 110.529 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 50.97 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.491 0.663 . . . . 0.0 110.23 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 71' ' ' GLU . 88.3 tttt -134.55 -91.36 0.33 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.6 mt 51.87 5.17 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.724 -0.61 . . . . 0.0 109.552 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.6 ' H ' ' C ' ' A' ' 69' ' ' LYS . 5.1 tp10 -102.52 138.44 39.43 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.955 0.883 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.484 ' ND1' ' O ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -150.37 137.93 19.78 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.111 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -66.25 159.9 25.52 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.587 0.708 . . . . 0.0 110.281 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.504 ' ND1' ' O ' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -98.04 46.36 1.01 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.628 -0.67 . . . . 0.0 109.622 -179.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 52.65 70.3 0.59 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.889 0.852 . . . . 0.0 109.693 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -146.64 147.16 30.75 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.56 0.695 . . . . 0.0 109.714 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.7 m80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.131 -0.937 . . . . 0.0 110.139 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.551 0.691 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -79.49 160.54 26.51 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.61 0.719 . . . . 0.0 110.132 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.13 -45.48 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.648 -0.658 . . . . 0.0 110.053 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -65.51 -37.78 87.77 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.468 0.652 . . . . 0.0 109.371 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.415 ' C ' HD21 ' B' ' 5' ' ' ASN . 0.4 OUTLIER -64.81 -45.62 85.46 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -70.72 -38.77 73.63 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.518 0.675 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.73 -41.72 98.0 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.557 0.694 . . . . 0.0 109.507 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.73 -39.88 95.48 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.03 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.282 0.563 . . . . 0.0 109.514 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.1 -42.28 65.78 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' B' ' 15' ' ' SER . 59.8 ttt180 -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.699 -0.626 . . . . 0.0 109.507 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.7 -42.61 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.694 -0.629 . . . . 0.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -60.26 -43.5 96.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.46 -0.775 . . . . 0.0 109.334 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.9 mt -92.1 -4.05 54.88 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.457 ' N ' ' O ' ' B' ' 11' ' ' ARG . 15.6 m 40.15 51.63 2.69 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.86 0.838 . . . . 0.0 110.216 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.78 144.3 35.27 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.744 0.783 . . . . 0.0 110.209 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -92.92 139.28 30.7 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.799 0.809 . . . . 0.0 109.704 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.47 77.66 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.8 -44.79 95.22 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.386 0.613 . . . . 0.0 109.576 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -61.19 -49.08 78.63 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.395 0.617 . . . . 0.0 110.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.95 -45.0 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.442 -0.786 . . . . 0.0 109.927 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.96 69.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.1 88.47 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.592 0.71 . . . . 0.0 109.183 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.38 -46.87 37.6 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.69 0.757 . . . . 0.0 109.458 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -64.87 -39.32 93.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 32.07 36.06 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.1 pt -119.12 163.63 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.645 -0.915 . . . . 0.0 109.798 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m -66.58 149.39 50.54 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.912 0.863 . . . . 0.0 110.075 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -62.12 -33.2 74.02 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.321 0.582 . . . . 0.0 109.566 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.35 -44.21 92.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.602 -0.686 . . . . 0.0 109.557 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.94 -43.07 89.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.689 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.33 -41.11 96.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.533 -0.729 . . . . 0.0 109.876 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.73 -36.42 76.54 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.456 0.646 . . . . 0.0 109.759 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 38' ' ' SER . 4.6 m120 -63.4 -40.45 97.23 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.309 0.576 . . . . 0.0 110.157 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.85 -43.73 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.789 -0.569 . . . . 0.0 109.611 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -66.92 -31.83 72.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.613 -0.679 . . . . 0.0 109.354 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -96.28 -7.1 36.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.387 -0.821 . . . . 0.0 109.415 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 34' ' ' ASN . 33.0 t -61.9 150.21 38.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.869 0.842 . . . . 0.0 110.332 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.2 -118.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.304 0.573 . . . . 0.0 110.031 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -87.56 169.25 12.34 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.954 0.883 . . . . 0.0 110.965 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.11 155.93 79.58 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.8 159.61 53.05 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.65 2.233 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.18 -16.83 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.64 -43.93 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.491 0.662 . . . . 0.0 109.623 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.35 -41.82 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 CA-C-O 121.493 0.664 . . . . 0.0 109.618 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -57.93 -40.92 81.61 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.51 -0.744 . . . . 0.0 109.246 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.52 -43.75 98.31 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.767 0.794 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.49 -42.96 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-O 121.483 0.659 . . . . 0.0 109.705 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.16 73.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.631 -0.668 . . . . 0.0 109.585 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.628 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 13.3 t80 -61.13 -48.33 82.11 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -64.62 -39.45 93.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -40.93 91.64 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.399 0.619 . . . . 0.0 109.384 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t -58.0 -33.3 68.78 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.628 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 63.3 mttp -79.05 1.17 24.97 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.634 0.731 . . . . 0.0 109.065 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.76 88.11 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 57' ' ' ASP . 52.4 t -64.13 -21.0 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.504 -0.998 . . . . 0.0 109.069 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' B' ' 56' ' ' VAL . 10.1 t70 75.93 43.64 0.16 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.886 0.85 . . . . 0.0 108.824 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' B' ' 61' ' ' LEU . 5.5 tt -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.377 0.608 . . . . 0.0 109.881 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -44.24 -40.73 5.36 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.391 -0.818 . . . . 0.0 109.547 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.23 64.24 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.791 0.805 . . . . 0.0 109.243 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 58' ' ' LEU . 47.0 tp -60.27 -41.65 93.71 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -72.0 -41.98 66.98 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.603 -0.686 . . . . 0.0 110.795 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -51.59 -43.5 62.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.527 -0.733 . . . . 0.0 110.13 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.574 -0.704 . . . . 0.0 110.119 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 65' ' ' ILE . 35.3 mm -94.06 -54.07 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.306 -0.871 . . . . 0.0 109.369 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 23.2 pt -68.77 135.92 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-O 122.029 0.918 . . . . 0.0 110.505 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 16.9 m -153.22 -126.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -85.76 -0.39 55.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.451 -0.781 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 56.27 86.02 0.07 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.642 0.734 . . . . 0.0 109.957 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 68.8 mt -82.09 41.52 0.68 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.331 0.586 . . . . 0.0 109.822 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -168.35 129.44 1.32 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.514 -0.741 . . . . 0.0 109.772 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 6.9 t60 -94.32 55.11 1.95 Allowed 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.685 0.755 . . . . 0.0 109.204 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' B' ' 72' ' ' HIS . 69.2 m-70 41.67 -164.64 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.308 0.575 . . . . 0.0 110.133 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.475 ' CG ' ' H ' ' B' ' 75' ' ' HIS . 83.5 t60 -127.11 -113.53 0.28 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.582 -0.699 . . . . 0.0 109.605 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.475 ' H ' ' CG ' ' B' ' 74' ' ' HIS . 15.6 t-80 -154.94 79.75 1.07 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' B' ' 77' ' ' HIS . 63.7 m-70 -80.9 174.41 11.65 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.79 0.805 . . . . 0.0 110.484 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' B' ' 76' ' ' HIS . 16.4 p-80 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.657 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mtp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -81.23 177.76 8.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.406 -0.809 . . . . 0.0 110.015 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.42 -44.73 95.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.323 -0.861 . . . . 0.0 110.066 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.486 ' C ' ' HZ1' ' A' ' 8' ' ' LYS . 78.0 p -69.26 -39.27 78.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 110.467 -179.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -64.3 -42.39 96.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 0.0 109.955 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.27 -37.95 78.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.304 -0.873 . . . . 0.0 109.232 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -41.73 98.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.548 -0.72 . . . . 0.0 109.309 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' HZ1' ' C ' ' A' ' 4' ' ' SER . 34.1 mtmm -69.06 -42.07 76.73 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.885 -1.134 . . . . 0.0 109.988 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 t -48.27 -64.46 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.112 -0.993 . . . . 0.0 110.506 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.43 -44.83 76.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.358 -0.839 . . . . 0.0 109.841 -179.033 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.8 -42.96 94.56 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.336 -0.852 . . . . 0.0 109.148 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.55 -43.39 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.817 -0.552 . . . . 0.0 109.906 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HE ' ' HA ' ' A' ' 10' ' ' GLU . 60.3 mtm180 -54.72 -43.74 72.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 109.609 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' SER . 90.6 mt -87.82 -0.89 57.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 108.6 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . 16.8 m 36.32 66.65 0.37 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.346 0.593 . . . . 0.0 110.225 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 85.0 mt -81.69 132.69 35.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.541 -0.724 . . . . 0.0 109.536 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.453 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 7.8 p -81.07 147.27 30.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.287 -0.883 . . . . 0.0 110.307 -179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.67 93.9 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.664 -0.648 . . . . 0.0 109.844 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -64.58 -45.76 85.63 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.683 ' HG ' ' N ' ' A' ' 21' ' ' VAL . 98.1 p -64.96 -46.75 80.21 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.22 -0.925 . . . . 0.0 109.857 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.683 ' N ' ' HG ' ' A' ' 20' ' ' SER . 85.6 t -67.06 -47.21 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.354 -0.841 . . . . 0.0 110.021 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.79 94.99 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.0 110.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.09 -46.87 69.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 110.117 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -67.62 -49.03 65.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.386 -0.821 . . . . 0.0 110.01 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.91 -38.33 82.8 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.242 -0.911 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.95 44.01 4.9 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.7 pt -127.17 162.22 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.521 -0.988 . . . . 0.0 110.13 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -74.42 150.66 39.87 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.449 -0.782 . . . . 0.0 110.036 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -36.02 82.25 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -41.13 82.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.928 . . . . 0.0 109.129 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.35 -39.95 94.9 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.327 -0.858 . . . . 0.0 109.136 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.69 -45.9 90.65 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -37.27 84.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.97 -43.16 99.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.396 -0.815 . . . . 0.0 109.478 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.23 -42.95 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.0 109.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.19 -37.82 70.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.53 -0.731 . . . . 0.0 110.295 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -95.16 -3.9 47.02 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.121 -0.987 . . . . 0.0 109.372 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 147.79 45.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -0.898 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.5 31.12 1.5 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.661 -0.649 . . . . 0.0 109.281 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.92 108.09 6.07 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.262 -0.899 . . . . 0.0 109.075 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 150.96 94.0 Favored Pre-proline 0 N--CA 1.488 1.443 0 O-C-N 121.428 -0.795 . . . . 0.0 109.417 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.51 155.32 63.7 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.264 1.976 . . . . 0.0 112.958 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.64 -21.48 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.596 -0.69 . . . . 0.0 109.347 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.22 -44.17 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.39 -45.19 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.254 -0.904 . . . . 0.0 109.23 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.73 -40.78 98.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.26 -45.59 92.74 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.87 -43.03 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.232 0.539 . . . . 0.0 109.669 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.19 73.77 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.321 -0.862 . . . . 0.0 109.261 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.431 ' O ' ' OG ' ' A' ' 53' ' ' SER . 20.3 t80 -61.89 -47.38 85.23 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.7 -40.45 92.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.429 -0.794 . . . . 0.0 109.598 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -64.44 -36.65 84.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.147 -0.971 . . . . 0.0 109.749 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 95.0 p -59.79 -21.94 61.49 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.349 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -89.31 3.05 53.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.035 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.64 23.1 60.75 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.52 131.74 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.059 -1.259 . . . . 0.0 109.954 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.17 54.38 0.87 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.397 -0.814 . . . . 0.0 109.755 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp -77.98 -24.14 48.13 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -35.52 80.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.365 -0.835 . . . . 0.0 108.837 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.4 89.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.397 -0.815 . . . . 0.0 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -41.79 96.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.53 -36.84 83.86 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.166 -0.958 . . . . 0.0 110.425 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.43 -33.15 73.24 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.814 -1.179 . . . . 0.0 109.815 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 65' ' ' ILE . 35.3 mm -62.71 -42.37 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.873 . . . . 0.0 110.472 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' ILE . 96.7 mt -42.34 120.25 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.279 -0.888 . . . . 0.0 110.236 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.5 132.93 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.587 -0.696 . . . . 0.0 110.744 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -87.43 113.66 23.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.45 -0.782 . . . . 0.0 109.314 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 70' ' ' LEU . 61.1 tttp -68.98 67.2 0.15 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.22 -0.925 . . . . 0.0 110.101 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 69' ' ' LYS . 63.4 mt 41.89 -165.75 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.626 0.727 . . . . 0.0 110.986 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.06 124.66 30.66 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.662 0.744 . . . . 0.0 110.626 -179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.465 ' C ' ' ND1' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -161.61 -57.7 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.142 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' A' ' 75' ' ' HIS . 84.5 m-70 -67.48 -38.35 84.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 109.236 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 75' ' ' HIS . 18.0 t-160 34.59 -85.5 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.06 0.457 . . . . 0.0 111.401 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 73' ' ' HIS . 47.0 m-70 -48.65 177.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.387 -0.821 . . . . 0.0 110.725 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 75' ' ' HIS . 1.4 t-80 38.99 96.62 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.427 0.632 . . . . 0.0 110.511 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.924 -1.036 . . . . 0.0 109.606 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtm . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 14.7 mt-10 62.13 136.99 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.51 0.671 . . . . 0.0 110.055 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.68 -43.14 97.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.484 -0.76 . . . . 0.0 109.769 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -55.86 -37.59 68.97 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.32 -0.862 . . . . 0.0 110.686 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -45.96 91.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.943 -1.098 . . . . 0.0 111.012 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 6' ' ' GLU . 1.1 mp0 -69.21 -48.22 62.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.749 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.233 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -54.95 -42.36 72.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.771 . . . . 0.0 110.112 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.53 -47.82 91.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.194 -0.942 . . . . 0.0 109.707 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.34 -30.84 65.11 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.784 -1.198 . . . . 0.0 109.35 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.432 ' NH1' ' C ' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -61.39 -37.47 83.52 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 80.7 mt -85.01 -42.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.418 -0.801 . . . . 0.0 109.82 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -59.27 -42.14 90.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.082 -1.011 . . . . 0.0 108.64 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.05 -2.84 53.11 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m 41.01 82.77 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.278 0.561 . . . . 0.0 110.632 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.68 137.41 34.79 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.807 0.813 . . . . 0.0 109.775 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -94.46 123.58 37.97 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.674 0.75 . . . . 0.0 109.437 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.91 83.95 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.614 -0.679 . . . . 0.0 110.113 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.23 -0.919 . . . . 0.0 110.436 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -66.58 -46.62 75.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.156 -0.965 . . . . 0.0 109.998 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.75 -45.45 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.498 -0.751 . . . . 0.0 109.646 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.45 98.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.553 -0.717 . . . . 0.0 110.315 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.1 -49.5 71.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.197 -0.94 . . . . 0.0 109.674 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.86 -41.67 82.51 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.309 -0.869 . . . . 0.0 109.421 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -66.42 -39.34 88.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.501 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.55 11.02 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 19.5 pt -127.02 165.85 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.355 -1.085 . . . . 0.0 110.1 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -74.14 153.26 39.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.449 -0.782 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -63.37 -36.06 82.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.609 -0.682 . . . . 0.0 109.745 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.91 -41.81 96.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.609 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.82 -41.42 97.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.905 . . . . 0.0 108.978 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.9 -41.95 99.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.549 -0.719 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -36.07 73.54 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.45 -0.781 . . . . 0.0 109.479 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.69 -39.22 90.68 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.91 97.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.589 -0.695 . . . . 0.0 109.458 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.03 -43.07 86.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.407 -0.808 . . . . 0.0 109.852 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -97.2 36.54 1.44 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.172 -0.955 . . . . 0.0 109.37 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -83.23 99.77 10.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.35 -0.843 . . . . 0.0 109.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -102.13 -10.46 19.62 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.5 m -125.49 93.68 3.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.75 153.99 89.29 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.375 -0.828 . . . . 0.0 109.773 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.76 162.26 43.21 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.677 2.251 . . . . 0.0 113.059 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 m -59.18 -18.35 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.466 -0.771 . . . . 0.0 109.845 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.42 -42.97 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.982 . . . . 0.0 109.705 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.51 -44.04 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.147 -0.97 . . . . 0.0 109.356 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.64 -39.37 88.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.208 -0.932 . . . . 0.0 108.775 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.14 -47.31 85.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.46 -0.775 . . . . 0.0 109.358 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.408 HG23 HD11 ' B' ' 48' ' ' ILE . 95.4 mt -63.92 -44.33 97.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.551 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.19 90.15 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.374 -0.829 . . . . 0.0 109.741 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.2 -46.59 88.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.35 -0.844 . . . . 0.0 108.883 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.3 -42.93 99.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.42 -0.8 . . . . 0.0 109.503 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.428 ' HG3' HH11 ' B' ' 52' ' ' ARG . 25.7 tpt85 -64.47 -40.65 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.382 -0.824 . . . . 0.0 109.349 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -61.07 -18.2 56.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.465 -0.772 . . . . 0.0 109.509 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.04 2.81 56.04 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 108.951 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.65 1.52 65.89 Favored Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -63.33 137.35 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -1.203 . . . . 0.0 109.173 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' B' ' 57' ' ' ASP . 10.3 p-10 -83.91 90.12 7.34 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.005 0.907 . . . . 0.0 110.816 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 3.9 mm? -86.21 -13.09 47.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.034 -1.041 . . . . 0.0 108.413 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 8.9 p-10 -67.72 -48.88 65.25 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.863 . . . . 0.0 109.61 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.42 91.47 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.14 -47.63 85.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.289 -0.882 . . . . 0.0 109.543 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.79 -38.26 89.96 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.762 -0.586 . . . . 0.0 110.072 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -55.94 -40.07 72.61 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.523 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -69.24 -36.15 76.86 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.126 -0.984 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.94 -46.65 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.81 -1.181 . . . . 0.0 110.766 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 pt -59.32 131.75 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.979 -1.076 . . . . 0.0 110.736 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.6 131.97 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.595 -0.691 . . . . 0.0 110.068 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -83.18 115.6 22.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 109.368 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -47.34 120.51 3.25 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.367 -0.833 . . . . 0.0 110.095 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.86 87.48 7.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 109.654 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.584 ' O ' ' N ' ' B' ' 73' ' ' HIS . 20.2 tp10 -173.08 172.6 3.87 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.592 ' O ' ' ND1' ' B' ' 72' ' ' HIS . 0.0 OUTLIER -58.18 71.98 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.06 -1.025 . . . . 0.0 111.386 -178.445 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' B' ' 71' ' ' GLU . 4.5 t60 -132.41 12.44 4.55 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -74.15 20.51 0.11 Allowed 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.534 ' H ' ' C ' ' B' ' 73' ' ' HIS . 39.0 m170 -77.64 153.41 33.18 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.431 -0.793 . . . . 0.0 109.795 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 77' ' ' HIS . 9.1 p-80 -46.84 -14.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.288 -0.883 . . . . 0.0 110.574 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' B' ' 77' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.992 0 O-C-N 121.236 -0.915 . . . . 0.0 109.997 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mtp . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.577 0.703 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -65.13 137.56 57.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.416 -0.803 . . . . 0.0 109.472 -179.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.82 -41.54 95.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.562 -0.711 . . . . 0.0 110.279 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.9 m -57.51 -34.35 68.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.344 -0.847 . . . . 0.0 110.299 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.63 -40.3 96.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 0.0 110.06 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -64.91 -41.25 95.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.647 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.15 -42.35 99.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.249 -0.907 . . . . 0.0 109.235 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.16 -45.38 88.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 109.875 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.47 -47.42 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.0 110.035 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.86 -43.92 97.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.302 -0.874 . . . . 0.0 109.973 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -60.36 -44.35 95.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.073 -1.017 . . . . 0.0 108.822 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.99 -42.96 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.514 -0.742 . . . . 0.0 109.182 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.792 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.9 mt -85.66 -4.13 59.08 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p 42.1 59.17 2.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.679 -0.638 . . . . 0.0 110.041 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.96 142.13 30.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.455 -0.778 . . . . 0.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 p -82.14 136.68 35.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.464 -0.773 . . . . 0.0 110.428 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.04 82.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.576 -0.702 . . . . 0.0 109.549 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.72 -46.9 85.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.883 . . . . 0.0 109.944 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.8 t -61.81 -45.18 94.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.911 . . . . 0.0 109.625 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -67.48 -42.67 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.309 -0.869 . . . . 0.0 109.666 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.69 90.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.0 110.407 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.76 -37.65 86.92 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.104 -0.997 . . . . 0.0 109.589 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.14 -44.19 60.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.06 -1.025 . . . . 0.0 109.418 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.37 -39.25 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.51 26.86 9.58 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -127.83 168.37 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.45 -1.029 . . . . 0.0 110.137 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 154.99 41.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.765 . . . . 0.0 110.117 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -61.72 -43.05 99.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.528 -0.733 . . . . 0.0 109.57 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.9 -36.7 85.2 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.177 -0.952 . . . . 0.0 108.957 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.09 -37.01 85.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.37 -0.831 . . . . 0.0 108.796 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 tp -60.97 -44.77 96.85 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.221 -0.925 . . . . 0.0 108.68 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.87 -33.55 74.97 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.863 0.84 . . . . 0.0 108.98 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.93 -36.52 84.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.663 -0.648 . . . . 0.0 110.327 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -43.45 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.955 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.579 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -64.81 -36.87 85.74 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.493 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -107.74 38.53 2.14 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p -82.46 -92.02 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.526 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -166.54 -143.57 0.06 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.38 -0.825 . . . . 0.0 110.041 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 p -72.13 166.4 22.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.285 -0.884 . . . . 0.0 110.65 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.04 151.6 47.15 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.58 -0.7 . . . . 0.0 109.696 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.16 150.35 59.55 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.583 2.189 . . . . 0.0 112.762 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.86 -16.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.534 -0.729 . . . . 0.0 109.793 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.9 t -59.32 -42.56 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.592 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.37 -42.38 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.684 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CD ' ' SD ' ' B' ' 25' ' ' MET . 63.9 mttp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.961 -1.087 . . . . 0.0 109.144 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -54.98 39.09 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.423 HG23 HD11 ' A' ' 48' ' ' ILE . 91.6 mt -46.76 -36.16 3.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.312 -0.868 . . . . 0.0 109.296 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.05 93.52 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.428 -0.795 . . . . 0.0 109.685 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.36 -42.44 98.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.894 . . . . 0.0 109.648 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -65.8 -37.84 87.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -0.909 . . . . 0.0 109.507 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.51 -20.5 55.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 0.0 109.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -90.64 2.97 55.41 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.4 57.86 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' LEU . 56.1 t -67.72 137.87 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -1.133 . . . . 0.0 110.071 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.53 63.23 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.589 0.709 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' VAL . 53.6 tp -65.57 -41.63 92.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.714 . . . . 0.0 109.325 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 28.4 p-10 -60.14 -43.7 95.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.414 -0.804 . . . . 0.0 110.18 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.29 89.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.098 -1.001 . . . . 0.0 109.796 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.44 -52.75 62.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.822 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.61 -42.35 74.48 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.335 -0.853 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -48.78 -43.02 37.56 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 108.82 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -46.02 71.89 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.565 -0.709 . . . . 0.0 109.975 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' VAL . 96.5 mt -65.35 -43.6 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.145 -0.972 . . . . 0.0 110.444 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.54 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.116 -0.99 . . . . 0.0 109.943 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ILE . 7.4 p -113.26 131.53 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-O 121.596 0.712 . . . . 0.0 109.839 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -72.23 -166.68 0.26 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.445 -0.784 . . . . 0.0 109.646 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' LEU . 68.7 mttm 56.53 14.85 1.82 Allowed 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.3 mp 38.06 80.44 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.551 0.691 . . . . 0.0 110.389 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -101.32 -40.26 7.2 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.455 ' CG ' ' N ' ' A' ' 73' ' ' HIS . 30.4 p80 -70.36 -39.15 74.8 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.477 -0.764 . . . . 0.0 109.665 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.455 ' N ' ' CG ' ' A' ' 72' ' ' HIS . 11.2 t-80 -77.34 121.24 23.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.186 -0.946 . . . . 0.0 109.879 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -176.08 111.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -146.37 -58.33 0.3 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.191 -0.943 . . . . 0.0 108.577 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -77.81 157.51 29.91 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.431 -0.793 . . . . 0.0 109.994 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.095 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -81.06 157.65 25.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.394 -0.816 . . . . 0.0 110.201 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.23 -44.05 96.33 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.449 -0.782 . . . . 0.0 109.693 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -67.82 -35.75 79.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.95 -43.74 97.97 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.138 -0.976 . . . . 0.0 108.606 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.475 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 4.5 mm-40 -69.73 -42.9 73.36 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.91 -41.54 82.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.746 . . . . 0.0 109.202 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.03 -39.96 94.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.396 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.28 -46.65 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.188 -0.945 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 6.0 mp0 -66.53 -38.32 86.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.115 -0.991 . . . . 0.0 109.64 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -59.45 -46.89 87.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -0.999 . . . . 0.0 108.797 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.45 -40.65 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.482 -0.761 . . . . 0.0 109.446 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -53.61 -41.82 67.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.373 -0.829 . . . . 0.0 109.427 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -83.74 -8.16 59.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.08 -1.013 . . . . 0.0 108.769 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 15' ' ' SER . 3.4 t 59.04 61.92 2.0 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.182 0.515 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.38 133.0 53.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 121.86 0.838 . . . . 0.0 109.645 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -86.88 154.56 20.76 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.612 0.72 . . . . 0.0 109.675 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.98 82.03 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.511 -0.743 . . . . 0.0 109.274 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.12 -42.39 99.53 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.498 -0.752 . . . . 0.0 109.655 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -60.31 -50.86 71.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.172 -0.955 . . . . 0.0 110.152 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.14 -44.06 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-O 121.718 0.77 . . . . 0.0 109.828 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.23 70.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.494 -0.754 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -67.62 -35.5 79.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.257 -0.902 . . . . 0.0 109.385 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.64 -68.47 0.33 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.423 -0.798 . . . . 0.0 109.235 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.406 ' SD ' ' CD ' ' A' ' 46' ' ' LYS . 68.0 mtm -67.02 -39.09 86.96 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.692 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.46 52.69 2.28 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -122.1 163.56 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.527 -0.984 . . . . 0.0 109.793 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -66.38 146.97 53.96 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.476 -0.765 . . . . 0.0 110.332 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.5 -33.07 72.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.632 -0.668 . . . . 0.0 109.213 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -63.63 -40.83 97.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.918 . . . . 0.0 109.524 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.88 -45.68 88.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.276 -0.89 . . . . 0.0 109.839 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.05 -42.15 97.12 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.205 -0.935 . . . . 0.0 109.374 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -60.64 -34.15 73.84 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.822 0.82 . . . . 0.0 109.124 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 38' ' ' SER . 21.0 t30 -66.21 -33.98 76.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.235 -0.916 . . . . 0.0 110.003 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.15 -46.54 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.997 -1.064 . . . . 0.0 110.199 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -70.07 -23.07 63.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.482 -0.762 . . . . 0.0 109.673 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -107.98 2.84 23.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.535 -0.728 . . . . 0.0 109.507 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 34' ' ' ASN . 21.0 p -63.48 171.55 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.01 -1.056 . . . . 0.0 110.419 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -71.83 -121.29 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.559 -0.713 . . . . 0.0 110.188 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.2 t -92.07 -174.05 3.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.407 -0.808 . . . . 0.0 110.655 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.58 150.95 57.88 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.17 157.38 59.77 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.655 2.236 . . . . 0.0 113.114 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.75 -22.83 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.589 -0.694 . . . . 0.0 110.107 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.0 -43.51 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.116 -0.99 . . . . 0.0 109.6 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 83.7 t -61.6 -43.74 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 109.329 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.39 -40.98 96.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.188 -0.945 . . . . 0.0 108.788 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.46 -46.55 89.6 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.0 0.905 . . . . 0.0 108.634 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.07 -42.28 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 108.971 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.529 -0.732 . . . . 0.0 110.079 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -62.1 -48.88 78.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.11 -0.994 . . . . 0.0 108.644 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.37 -39.94 89.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 109.497 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.09 -41.8 98.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.413 -0.804 . . . . 0.0 109.912 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 36.0 t -59.13 -17.83 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.639 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -94.19 -1.23 54.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 108.964 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.52 25.54 60.78 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' B' ' 58' ' ' LEU . 59.3 t -67.14 136.87 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.127 -1.219 . . . . 0.0 109.664 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 82.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.617 0.722 . . . . 0.0 109.712 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 56' ' ' VAL . 54.2 tp -91.54 -50.72 5.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.563 -0.71 . . . . 0.0 110.273 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -60.94 -41.27 95.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.877 . . . . 0.0 109.914 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.14 91.98 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 109.438 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.34 -48.11 82.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.433 -0.792 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' B' ' 63' ' ' ASP . 9.7 m-85 -69.58 -42.23 74.74 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.535 -0.728 . . . . 0.0 109.77 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 62' ' ' PHE . 33.0 t70 -40.25 -45.47 2.08 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.453 0.644 . . . . 0.0 109.963 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -69.73 -42.51 73.88 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.563 -0.71 . . . . 0.0 109.381 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.413 HG21 HD12 ' B' ' 65' ' ' ILE . 96.9 mt -66.08 -42.36 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.203 -0.936 . . . . 0.0 109.949 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' B' ' 65' ' ' ILE . 4.8 mm -37.79 118.88 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 121.646 0.736 . . . . 0.0 110.428 -178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 71.3 t -95.65 126.83 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 -17.49 9.38 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -116.32 -120.8 0.3 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.602 -0.686 . . . . 0.0 110.526 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' B' ' 71' ' ' GLU . 75.0 mt -76.57 -166.34 0.64 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.298 -0.876 . . . . 0.0 110.564 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' B' ' 73' ' ' HIS . 0.1 OUTLIER 78.53 43.54 0.08 Allowed 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 73' ' ' HIS . 74.9 m-70 -70.05 39.54 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.418 -0.801 . . . . 0.0 109.525 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.543 ' H ' ' C ' ' B' ' 71' ' ' GLU . 1.6 t-80 47.45 99.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.527 -0.733 . . . . 0.0 110.109 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -71.66 127.65 33.26 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.309 -0.869 . . . . 0.0 110.203 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.503 ' C ' ' ND1' ' B' ' 75' ' ' HIS . 2.1 t-80 -130.26 -38.29 1.4 Allowed 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -85.53 121.91 28.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.289 -0.882 . . . . 0.0 109.71 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.822 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.715 0.769 . . . . 0.0 108.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.94 -179.59 4.97 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.634 0.731 . . . . 0.0 110.445 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.429 -0.794 . . . . 0.0 109.499 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -58.13 -36.76 73.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -40.59 97.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.588 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -62.04 -44.65 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 0.0 109.789 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.11 -42.61 99.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.029 -1.044 . . . . 0.0 109.227 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.755 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.08 -45.31 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.447 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -64.84 -34.71 79.03 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.267 -0.896 . . . . 0.0 108.915 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' SER . 51.0 ttp180 -61.11 -47.32 86.84 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.93 -42.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 121.349 0.595 . . . . 0.0 109.51 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -54.71 -45.27 74.01 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.55 -0.17 38.27 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.209 -0.932 . . . . 0.0 108.499 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.0 t 45.16 79.82 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.517 -0.739 . . . . 0.0 109.738 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.561 ' CD1' ' HZ3' ' B' ' 54' ' ' LYS . 76.4 mt -104.82 132.98 50.39 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.452 -0.78 . . . . 0.0 109.424 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -79.93 135.02 36.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.381 -0.824 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.36 84.99 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.503 -0.748 . . . . 0.0 109.816 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.09 -45.51 93.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.277 -0.889 . . . . 0.0 109.683 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -61.33 -46.29 90.89 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.304 -0.873 . . . . 0.0 110.105 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.48 -46.09 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.331 -0.855 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.53 93.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.91 . . . . 0.0 110.078 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.63 -46.91 62.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 110.431 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.98 -35.82 72.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 110.205 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -62.62 -38.37 89.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.895 . . . . 0.0 109.32 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.73 9.42 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -126.52 162.25 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.975 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.498 ' HG ' ' N ' ' A' ' 29' ' ' ARG . 38.3 t -65.12 154.23 38.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.437 -0.789 . . . . 0.0 110.263 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.498 ' N ' ' HG ' ' A' ' 28' ' ' SER . 16.7 ttp180 -63.08 -38.98 93.36 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.73 -40.37 97.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.284 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.89 -40.4 95.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.59 -39.9 95.57 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 0.0 109.109 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.5 m -56.21 -38.86 71.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.99 -41.49 98.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.333 -0.854 . . . . 0.0 109.269 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.93 -42.83 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.0 109.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.02 -39.19 93.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.231 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.72 6.81 48.0 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.841 -1.162 . . . . 0.0 109.063 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -62.23 122.59 16.0 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.296 -0.877 . . . . 0.0 109.886 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -109.78 -7.35 15.06 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -114.05 123.13 48.91 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.34 152.88 37.95 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.367 -0.833 . . . . 0.0 109.568 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.54 159.63 50.73 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.77 2.313 . . . . 0.0 112.88 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.89 -16.99 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.267 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.81 -44.86 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.96 -44.34 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.155 -0.966 . . . . 0.0 109.32 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.9 -40.97 97.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.0 109.254 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.78 -44.49 96.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.113 -0.992 . . . . 0.0 108.359 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.18 -43.14 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.547 -0.72 . . . . 0.0 109.476 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.37 75.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 109.343 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' O ' ' OG ' ' A' ' 53' ' ' SER . 41.2 t80 -61.41 -44.75 96.6 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.436 -0.79 . . . . 0.0 108.898 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.42 -40.53 97.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.261 -0.9 . . . . 0.0 108.95 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -61.16 -40.49 94.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.556 -0.715 . . . . 0.0 109.655 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 50' ' ' PHE . 94.0 p -60.36 -21.16 61.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -93.32 -1.93 55.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.019 -1.051 . . . . 0.0 108.788 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 73.31 40.01 50.14 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 120.112 -1.042 . . . . 0.0 110.55 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.95 -18.08 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.925 -1.338 . . . . 0.0 109.249 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 2.5 m-20 63.57 56.14 1.64 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.583 0.706 . . . . 0.0 109.706 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.96 -39.32 93.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 179.586 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.57 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 3.9 p-10 -39.57 -39.37 0.72 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.657 -0.652 . . . . 0.0 110.33 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.86 94.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.212 -0.93 . . . . 0.0 109.368 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' LEU . 96.7 mt -64.29 -43.42 94.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -64.01 -40.45 96.38 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.508 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.17 -34.98 75.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.456 -0.778 . . . . 0.0 109.127 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -67.02 -21.78 65.92 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 109.952 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.6 mm -71.74 -42.82 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.882 -1.136 . . . . 0.0 109.374 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.617 ' C ' ' H ' ' A' ' 68' ' ' ASN . 14.6 pt -95.64 -41.86 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.416 -0.803 . . . . 0.0 109.991 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.7 t 56.07 -3.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.498 -0.751 . . . . 0.0 109.606 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.617 ' H ' ' C ' ' A' ' 66' ' ' ILE . 54.0 p30 -84.74 -167.11 1.68 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 109.74 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt 56.67 90.59 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.762 . . . . 0.0 109.899 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.01 -170.92 2.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.464 -0.773 . . . . 0.0 109.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 73.38 28.47 1.76 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.23 162.59 40.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.128 -0.982 . . . . 0.0 109.064 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -150.03 169.21 21.76 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.099 -1.001 . . . . 0.0 109.915 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 7.9 m170 -86.34 131.94 34.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.22 -0.925 . . . . 0.0 109.273 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -67.59 -41.88 83.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.265 -0.897 . . . . 0.0 109.599 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' A' ' 77' ' ' HIS . 9.3 p80 -147.54 35.79 0.88 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.396 -0.815 . . . . 0.0 108.847 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.476 ' OXT' ' CG ' ' A' ' 77' ' ' HIS . 35.1 t60 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.172 -0.918 . . . . 0.0 109.518 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.402 ' HG3' ' H ' ' B' ' 5' ' ' ASN . 15.1 pt-20 -61.4 174.18 0.77 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.502 -0.748 . . . . 0.0 110.662 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.89 -41.19 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.48 -0.762 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -60.0 -34.41 73.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.967 -1.083 . . . . 0.0 109.11 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . 0.402 ' H ' ' HG3' ' B' ' 2' ' ' GLU . 0.4 OUTLIER -65.28 -40.72 94.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.497 -0.752 . . . . 0.0 109.323 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.95 -36.26 82.85 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.287 -0.883 . . . . 0.0 109.171 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.58 -42.83 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.531 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -38.06 88.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 109.378 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.86 -42.93 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.281 -0.887 . . . . 0.0 109.134 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.458 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 89.4 mt-10 -55.45 -41.77 73.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.297 -0.877 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 15' ' ' SER . 10.5 ttp180 -60.39 -47.07 87.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.366 -0.834 . . . . 0.0 108.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.51 -42.69 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' B' ' 13' ' ' ARG . 41.8 ttt-85 -56.76 -45.72 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.479 -0.763 . . . . 0.0 109.337 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' B' ' 15' ' ' SER . 96.5 mt -98.41 1.55 46.98 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 36.82 76.01 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.74 160.03 21.35 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.759 0.79 . . . . 0.0 110.026 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -97.08 126.05 41.97 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.83 82.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.58 -0.7 . . . . 0.0 109.544 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -63.92 -43.06 97.03 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -50.11 73.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 110.129 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.41 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 85.8 t -68.56 -45.18 82.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 110.091 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.296 -0.877 . . . . 0.0 110.552 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.53 -45.56 82.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.261 -0.899 . . . . 0.0 109.895 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.25 -43.64 73.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.519 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.41 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 91.5 mtp -66.18 -39.66 89.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 109.733 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.39 33.3 4.26 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -130.29 165.7 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.419 -1.048 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -79.17 167.99 20.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.82 . . . . 0.0 110.534 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -64.93 -36.94 85.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.57 -0.706 . . . . 0.0 109.342 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.78 -48.07 78.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.27 -0.894 . . . . 0.0 110.217 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.14 -41.65 88.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 0.0 109.082 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.91 -39.71 94.79 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.397 -0.814 . . . . 0.0 109.21 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 t -58.91 -32.29 69.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.0 109.083 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.19 -39.03 89.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.224 -0.923 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -44.54 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.321 -0.862 . . . . 0.0 110.64 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -78.24 -15.08 59.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.892 -1.13 . . . . 0.0 108.995 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -98.63 11.82 37.27 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.8 142.77 52.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.858 . . . . 0.0 110.535 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -104.68 -36.96 7.27 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.6 p -131.88 156.58 45.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.554 -0.716 . . . . 0.0 109.529 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.71 151.95 38.79 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.43 160.5 49.55 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.64 2.227 . . . . 0.0 112.728 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.43 -19.38 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.0 109.131 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.17 -44.97 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.331 -0.856 . . . . 0.0 109.116 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.34 -44.2 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.317 -0.864 . . . . 0.0 109.049 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.81 -41.34 97.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.838 . . . . 0.0 109.236 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.97 -44.28 97.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.32 -0.863 . . . . 0.0 109.183 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.418 HG23 HD11 ' B' ' 48' ' ' ILE . 94.4 mt -63.18 -43.5 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.61 -34.6 75.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.424 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.02 -49.01 79.33 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.347 -0.846 . . . . 0.0 108.85 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.78 -39.16 87.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.529 -0.732 . . . . 0.0 109.121 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 52' ' ' ARG . 29.0 ttp180 -61.94 -41.19 97.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.3 -0.875 . . . . 0.0 109.501 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -62.79 -18.52 62.83 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.025 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.561 ' HZ3' ' CD1' ' A' ' 16' ' ' LEU . 99.3 mttt -90.37 4.2 51.55 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.31 78.57 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.587 ' O ' ' N ' ' B' ' 58' ' ' LEU . 51.0 t -64.56 145.55 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.055 -1.262 . . . . 0.0 109.526 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.3 72.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.571 0.701 . . . . 0.0 109.528 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -69.01 -43.07 75.54 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.57 0.7 . . . . 0.0 110.618 -178.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.76 -41.1 97.24 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.93 81.96 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.47 -0.769 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.41 -50.71 72.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.074 -1.016 . . . . 0.0 110.1 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.24 -40.05 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.242 -0.911 . . . . 0.0 110.651 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.458 ' HB3' HH21 ' B' ' 64' ' ' ARG . 16.4 t0 -62.47 -38.46 89.92 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.519 -0.738 . . . . 0.0 110.431 -178.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.548 ' CA ' ' HE ' ' B' ' 64' ' ' ARG . 0.0 OUTLIER -58.92 -16.08 15.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.908 -1.12 . . . . 0.0 108.358 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . 0.42 HG22 HD13 ' B' ' 65' ' ' ILE . 13.0 mm -92.0 -59.0 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.501 ' C ' ' H ' ' B' ' 68' ' ' ASN . 97.1 mt -65.49 -43.69 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.498 -0.751 . . . . 0.0 109.619 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t 66.09 -42.98 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 CA-C-O 121.253 0.549 . . . . 0.0 109.81 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' B' ' 66' ' ' ILE . 29.5 m120 -68.68 122.32 18.29 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.293 -0.879 . . . . 0.0 110.376 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -169.75 90.6 0.2 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 91.0 mt -76.28 148.82 37.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.465 -0.772 . . . . 0.0 110.341 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . 0.572 ' CD ' ' H ' ' B' ' 71' ' ' GLU . 0.7 OUTLIER -91.44 115.86 28.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.468 -0.77 . . . . 0.0 108.974 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 5.8 p-80 -137.17 66.24 1.47 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -43.73 154.18 0.1 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.453 -0.78 . . . . 0.0 110.273 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' HIS . . . . . 0.479 ' C ' ' ND1' ' B' ' 75' ' ' HIS . 62.4 m80 -92.15 21.01 5.39 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.4 -0.812 . . . . 0.0 108.878 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.479 ' ND1' ' C ' ' B' ' 74' ' ' HIS . 0.0 OUTLIER 53.78 175.08 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.591 -0.693 . . . . 0.0 110.196 179.277 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.95 -98.07 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.676 -0.64 . . . . 0.0 110.372 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' B' ' 75' ' ' HIS . 28.9 t-80 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.957 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.286 0.565 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.41 -43.06 99.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.424 -0.797 . . . . 0.0 109.834 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -75.71 -33.51 60.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.824 -1.173 . . . . 0.0 109.97 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.4 -45.62 90.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.094 -1.003 . . . . 0.0 110.096 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -69.32 -34.5 74.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.113 -0.992 . . . . 0.0 108.958 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 5.4 tp -60.75 -33.48 72.99 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -74.49 -36.53 63.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.46 -46.55 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.328 -0.858 . . . . 0.0 110.509 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 22.2 pt-20 -65.19 -42.34 93.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.7 -1.25 . . . . 0.0 109.144 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 15' ' ' SER . 42.8 ttm180 -62.6 -47.17 84.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.886 -1.134 . . . . 0.0 109.148 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.58 -43.34 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.419 -0.801 . . . . 0.0 109.98 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -59.58 -43.64 93.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.387 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.0 -4.16 47.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 108.781 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 11' ' ' ARG . 34.7 t 45.14 78.68 0.06 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.376 -0.828 . . . . 0.0 110.048 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.1 mt -112.33 133.22 54.55 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.427 -0.796 . . . . 0.0 109.3 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 21' ' ' VAL . 12.3 p -85.61 159.44 19.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.191 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.22 -38.59 75.28 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.61 -48.18 73.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.51 -0.744 . . . . 0.0 109.877 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.7 t -63.28 -44.91 93.76 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.099 -1.0 . . . . 0.0 109.365 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 17' ' ' THR . 73.8 t -66.23 -43.75 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.444 -0.785 . . . . 0.0 110.161 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.8 99.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.074 -1.016 . . . . 0.0 110.35 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.91 -43.2 79.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.799 -1.188 . . . . 0.0 109.466 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.1 -43.51 78.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.183 -0.948 . . . . 0.0 109.381 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 86.1 mmm -66.08 -39.31 89.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -0.793 . . . . 0.0 109.548 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.1 26.97 14.53 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.3 164.9 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.688 -0.889 . . . . 0.0 109.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -73.72 155.31 39.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -63.89 -34.95 79.09 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.26 -41.02 87.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 109.145 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.07 -38.76 92.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.303 -0.873 . . . . 0.0 108.923 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.86 -42.0 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.41 -0.807 . . . . 0.0 109.008 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.9 m -62.13 -33.81 75.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.51 -38.82 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.81 -43.25 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 108.996 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HG2' HH22 ' A' ' 11' ' ' ARG . 98.4 mt-10 -63.84 -35.3 80.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.511 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -89.48 6.82 39.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.244 -0.91 . . . . 0.0 109.657 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -65.03 159.42 23.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 109.286 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.7 pm0 -108.51 118.94 38.08 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.657 0.741 . . . . 0.0 109.575 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 39' ' ' GLU . 20.5 p 46.2 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.528 0.68 . . . . 0.0 110.29 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.37 146.3 37.51 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.339 -0.85 . . . . 0.0 109.092 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.51 159.43 42.97 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.392 2.061 . . . . 0.0 111.956 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 m -62.87 -28.26 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.342 -0.849 . . . . 0.0 109.742 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.73 -46.93 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.187 -0.946 . . . . 0.0 109.271 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.72 -43.02 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 0.0 109.519 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.37 -41.11 96.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.85 . . . . 0.0 109.313 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.22 -44.3 97.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.44 -42.74 96.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.352 -0.842 . . . . 0.0 109.319 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -33.64 67.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.976 . . . . 0.0 108.715 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CE2' HG22 ' B' ' 21' ' ' VAL . 29.4 t80 -61.86 -43.89 97.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.377 -0.827 . . . . 0.0 109.302 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 2.4 mm? -61.33 -40.26 93.58 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.13 -0.981 . . . . 0.0 108.906 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.529 HH22 HH22 ' B' ' 52' ' ' ARG . 15.9 ttm180 -62.81 -38.76 91.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.01 -1.056 . . . . 0.0 108.652 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -58.39 -19.09 32.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.201 -0.937 . . . . 0.0 109.043 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -91.71 5.26 50.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.336 -0.852 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.82 18.18 70.84 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.76 134.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.963 -1.316 . . . . 0.0 109.741 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.91 70.94 0.51 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.283 -0.885 . . . . 0.0 109.43 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.49 -41.99 98.54 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.463 -0.773 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -59.67 -42.82 93.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.74 76.48 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.131 -0.98 . . . . 0.0 109.064 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.1 -48.95 79.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.854 . . . . 0.0 109.892 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.68 -35.04 74.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.993 -1.067 . . . . 0.0 109.835 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.95 -35.1 74.24 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.98 -40.65 91.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.642 -0.661 . . . . 0.0 110.158 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.312 -0.868 . . . . 0.0 110.633 -178.411 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 N--CA 1.499 2.017 0 CA-C-O 121.731 0.776 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.59 -41.96 99.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.6 m -59.5 -41.07 89.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.67 -41.22 98.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.63 -35.45 78.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.203 -0.935 . . . . 0.0 109.807 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.0 -44.38 97.49 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -66.21 -39.39 89.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.196 -0.94 . . . . 0.0 110.006 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.585 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.1 -39.21 93.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.098 -1.001 . . . . 0.0 109.19 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.433 HH22 ' CB ' ' B' ' 36' ' ' GLU . 32.8 ttm180 -61.64 -45.3 94.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.0 108.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.27 -43.7 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.294 0.569 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -61.8 -41.39 97.69 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' B' ' 15' ' ' SER . 94.3 mt -85.95 -8.26 58.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.1 p 40.3 48.05 2.27 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.432 0.634 . . . . 0.0 109.488 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.64 159.81 26.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.371 -0.83 . . . . 0.0 110.174 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -105.51 134.41 48.66 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.754 0.787 . . . . 0.0 109.935 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -23.2 66.85 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 0.0 109.395 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.92 -46.16 91.77 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.487 -0.758 . . . . 0.0 109.273 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -72.55 -41.37 65.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.392 -0.817 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 50' ' ' PHE . 94.7 t -62.58 -46.55 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 0.0 110.66 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.12 89.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.929 -1.107 . . . . 0.0 110.191 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.13 -44.9 82.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.876 -1.14 . . . . 0.0 109.154 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.17 -40.8 64.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.341 -0.85 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.55 -39.92 92.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.173 -0.954 . . . . 0.0 109.453 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.9 29.09 16.43 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.67 166.78 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.433 -1.04 . . . . 0.0 109.758 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -69.17 149.26 48.81 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 108.89 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.46 -36.04 82.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 109.051 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -58.96 -42.18 89.24 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.11 -34.02 77.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 109.339 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.73 -43.16 94.3 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.56 -37.53 86.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -68.55 -29.82 68.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.284 -0.885 . . . . 0.0 110.492 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.7 -44.79 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.796 -1.19 . . . . 0.0 109.346 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.433 ' CB ' HH22 ' B' ' 11' ' ' ARG . 8.8 pt-20 -69.84 -35.55 74.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.979 -1.076 . . . . 0.0 109.167 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' B' ' 39' ' ' GLU . 75.2 mt-30 -90.49 13.53 15.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.178 -0.951 . . . . 0.0 109.381 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.513 ' O ' ' N ' ' B' ' 40' ' ' THR . 88.7 p -68.5 34.69 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.157 -0.965 . . . . 0.0 110.115 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 37' ' ' GLN . 53.0 mt-10 53.16 -86.53 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.241 -0.912 . . . . 0.0 110.412 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' SER . 9.3 t -131.9 168.08 18.49 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.397 -0.815 . . . . 0.0 109.767 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.99 155.91 77.26 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.384 -0.822 . . . . 0.0 109.085 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.93 160.72 46.97 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.631 2.221 . . . . 0.0 112.11 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.5 -18.4 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.403 -0.81 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.49 -44.6 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.268 -0.895 . . . . 0.0 108.93 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.61 -44.58 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.33 -0.856 . . . . 0.0 108.901 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.23 -40.32 97.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.84 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.42 -41.18 88.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.876 . . . . 0.0 109.039 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.34 -43.15 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.366 -0.834 . . . . 0.0 109.035 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.54 74.73 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.218 -0.926 . . . . 0.0 109.162 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 17.6 t80 -61.11 -49.81 75.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' B' ' 51' ' ' LEU . 3.3 mm? -66.49 -39.82 88.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 109.081 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.529 HH22 HH22 ' A' ' 52' ' ' ARG . 40.0 ttt180 -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.344 -0.848 . . . . 0.0 108.989 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -57.21 -20.2 25.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.482 -0.761 . . . . 0.0 109.65 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 59.2 mttp -90.34 8.45 33.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 109.236 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.85 19.67 65.02 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 58' ' ' LEU . 79.3 t -69.4 134.45 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.051 -1.264 . . . . 0.0 109.681 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 70.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.581 -0.699 . . . . 0.0 110.428 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' B' ' 56' ' ' VAL . 49.9 tp -63.62 -42.6 98.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.081 -1.012 . . . . 0.0 109.78 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -59.56 -41.99 91.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.156 -0.965 . . . . 0.0 109.792 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.017 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -46.97 86.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.425 -0.797 . . . . 0.0 109.545 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.35 -33.64 71.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.146 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.08 -41.13 91.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.147 -0.971 . . . . 0.0 109.761 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -64.64 -37.35 87.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.404 -0.81 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.58 0 O-C-N 120.848 -1.158 . . . . 0.0 109.976 -178.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 5' ' ' ASN . 3.9 pt-20 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.46 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 9.0 tp -41.54 -36.8 0.97 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.531 -0.73 . . . . 0.0 109.722 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.7 m -79.35 -32.68 43.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.965 -1.085 . . . . 0.0 109.884 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.606 ' O ' HG23 ' A' ' 9' ' ' VAL . 12.1 t-20 -63.62 -47.15 82.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.131 -0.98 . . . . 0.0 109.998 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -44.92 77.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.278 -0.888 . . . . 0.0 108.855 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.68 -45.58 86.03 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.923 . . . . 0.0 110.192 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.55 -36.41 83.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 109.923 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 5' ' ' ASN . 23.3 t -61.63 -43.07 96.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.34 -0.85 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.23 -36.53 82.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.772 -1.205 . . . . 0.0 109.15 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.64 -42.43 99.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.082 -1.011 . . . . 0.0 109.625 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.83 -51.77 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.164 -0.96 . . . . 0.0 109.898 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.501 ' NH2' ' CG1' ' A' ' 9' ' ' VAL . 25.3 mtm-85 -67.36 -38.49 84.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.373 -0.829 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.29 -2.34 52.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.213 -0.93 . . . . 0.0 108.611 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.461 ' C ' HD12 ' A' ' 16' ' ' LEU . 36.1 t 53.6 73.5 0.37 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.543 -0.723 . . . . 0.0 110.064 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.531 HD11 ' NZ ' ' B' ' 54' ' ' LYS . 8.3 mp -114.63 143.39 45.09 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.63 -0.669 . . . . 0.0 109.693 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.8 p -119.28 153.06 35.64 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.39 93.67 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.51 -0.744 . . . . 0.0 109.425 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -66.3 -47.11 74.66 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.389 -0.819 . . . . 0.0 110.289 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.242 -0.911 . . . . 0.0 110.195 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.52 -44.79 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.279 -0.888 . . . . 0.0 109.734 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.29 74.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 0.0 110.178 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.82 -35.16 76.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.308 -0.87 . . . . 0.0 109.598 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.9 -51.82 17.09 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.239 -0.913 . . . . 0.0 109.817 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mtp -65.94 -39.6 90.63 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.279 -0.888 . . . . 0.0 109.607 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.89 33.49 5.24 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -125.94 161.23 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.388 -1.066 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -75.16 158.8 32.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.388 -0.82 . . . . 0.0 110.286 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 29' ' ' ARG . 31.0 mtp-105 -63.63 -37.07 85.95 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.47 -0.769 . . . . 0.0 109.332 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.27 -41.19 79.24 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.142 -0.974 . . . . 0.0 109.286 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.38 -38.98 91.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.865 . . . . 0.0 109.237 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.08 -42.65 99.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.477 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.0 -36.45 84.03 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.45 -0.781 . . . . 0.0 109.704 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -63.29 -35.68 81.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.298 -0.876 . . . . 0.0 109.233 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.76 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.199 -0.938 . . . . 0.0 109.118 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -62.99 -35.33 79.84 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.078 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.15 39.11 1.25 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.894 . . . . 0.0 108.892 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' THR . 77.9 p -70.01 -13.02 62.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 108.988 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 54.16 -85.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.376 -0.827 . . . . 0.0 110.291 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' SER . 10.3 t -96.27 158.52 15.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.069 -1.02 . . . . 0.0 109.85 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 127.44 34.75 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.303 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -47.89 145.68 9.76 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.101 1.868 . . . . 0.0 113.542 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.95 -30.22 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 109.243 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.32 -32.67 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.238 -0.914 . . . . 0.0 109.66 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -62.26 -47.43 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.133 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.94 -35.58 81.6 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.343 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.15 -41.77 72.23 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.193 -1.039 . . . . 0.0 108.193 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.43 -43.73 98.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.531 -0.73 . . . . 0.0 109.034 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.31 80.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 0.0 109.467 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 78.2 t80 -60.03 -44.34 94.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.425 -0.797 . . . . 0.0 109.612 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.25 -41.26 98.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.393 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -62.29 -32.24 72.93 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.236 -0.915 . . . . 0.0 109.151 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -57.84 -21.77 44.32 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.131 -0.981 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 14.8 mptt -97.14 2.41 51.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.898 . . . . 0.0 108.629 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.75 49.48 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.44 136.9 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.344 . . . . 0.0 109.742 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.7 88.34 2.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.654 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.2 tp -80.03 -27.66 39.45 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.484 -0.76 . . . . 0.0 109.561 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 6.9 m120 -61.79 -41.87 98.28 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.395 -0.816 . . . . 0.0 109.908 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.8 94.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.984 -1.073 . . . . 0.0 109.074 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.07 -46.26 81.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.287 -0.883 . . . . 0.0 109.782 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.8 -37.59 79.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.6 -0.688 . . . . 0.0 109.569 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 70.5 m-20 -59.94 -45.99 90.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.212 -0.93 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -67.06 -44.18 80.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.175 -0.953 . . . . 0.0 109.583 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.304 -1.385 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.893 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.169 0.509 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -45.49 -43.26 11.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.541 -0.724 . . . . 0.0 109.838 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -62.91 -37.1 85.61 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 110.058 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.75 -39.43 94.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 110.043 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.69 -43.87 71.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.535 0.683 . . . . 0.0 109.266 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.91 -41.0 99.29 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.905 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -40.14 94.18 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.458 -0.776 . . . . 0.0 109.985 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.96 -44.18 97.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.141 -0.974 . . . . 0.0 109.212 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.87 -50.35 70.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.46 ' NH1' ' CD ' ' B' ' 36' ' ' GLU . 10.6 ttt180 -65.76 -43.03 90.13 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.425 -0.797 . . . . 0.0 110.219 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.43 -42.9 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.299 -0.876 . . . . 0.0 109.68 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 13' ' ' ARG . 0.6 OUTLIER -57.51 -44.62 85.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.424 -0.798 . . . . 0.0 109.127 -179.06 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.23 -5.88 59.3 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t 47.65 70.58 0.41 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -110.52 135.3 51.4 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.423 -0.798 . . . . 0.0 109.65 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.9 p -76.63 150.16 36.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.316 -0.865 . . . . 0.0 110.254 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.69 86.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.503 -0.748 . . . . 0.0 109.926 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -64.2 -43.5 94.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.042 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -59.53 -45.1 92.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.2 -0.937 . . . . 0.0 109.78 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.65 -43.31 86.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.711 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.84 88.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.453 -0.779 . . . . 0.0 110.63 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -66.05 -37.5 85.98 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.88 -44.82 65.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 76.8 mmm -65.09 -38.95 92.38 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.341 -0.849 . . . . 0.0 109.612 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.98 16.53 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.67 163.39 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.446 -1.032 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 97.3 p -76.13 165.64 24.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.517 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -63.09 -35.68 81.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -57.16 -44.37 83.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.414 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.13 -44.72 83.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.375 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -64.24 -42.48 96.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.442 -0.786 . . . . 0.0 109.626 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.9 m -63.44 -36.05 82.46 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.55 -0.719 . . . . 0.0 109.588 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -62.39 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.59 -43.9 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' B' ' 11' ' ' ARG . 81.2 mt-10 -68.94 -12.81 61.99 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -108.47 -7.87 15.69 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -58.65 144.5 43.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.235 -0.916 . . . . 0.0 110.357 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -118.76 -40.75 2.84 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 53.7 m -111.65 126.82 55.43 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.564 -0.71 . . . . 0.0 109.705 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.83 151.81 39.27 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.502 -0.748 . . . . 0.0 109.401 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.4 153.65 77.26 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.368 2.045 . . . . 0.0 112.875 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 46' ' ' LYS . 14.5 p -63.72 -31.59 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.458 -0.776 . . . . 0.0 109.994 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.466 HG23 ' N ' ' B' ' 45' ' ' VAL . 7.1 m -41.05 -38.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.644 -0.66 . . . . 0.0 109.866 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.466 ' N ' HG23 ' B' ' 44' ' ' VAL . 75.6 t -64.42 -45.02 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.213 -0.929 . . . . 0.0 109.172 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' B' ' 43' ' ' VAL . 99.5 mttt -63.99 -39.43 94.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.301 -0.874 . . . . 0.0 109.403 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -60.12 -41.54 92.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.451 -0.78 . . . . 0.0 109.347 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.86 -42.94 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.34 69.21 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.59 -51.9 66.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.35 -38.41 84.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.354 -0.841 . . . . 0.0 108.866 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -59.68 -37.14 77.99 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.414 -0.804 . . . . 0.0 109.135 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -54.91 -35.81 64.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.432 -0.792 . . . . 0.0 109.378 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.531 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 98.3 mttt -84.38 11.83 7.81 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 109.322 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.28 29.17 70.47 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.16 132.65 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.722 -1.458 . . . . 0.0 109.561 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.5 73.16 5.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.262 -0.899 . . . . 0.0 109.171 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.749 HD12 HD12 ' B' ' 61' ' ' LEU . 7.6 tp -88.07 -9.01 54.67 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -64.95 -42.73 94.36 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.65 90.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.622 -0.674 . . . . 0.0 109.981 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.749 HD12 HD12 ' B' ' 58' ' ' LEU . 84.5 mt -62.43 -42.91 99.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.317 -0.864 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.281 -0.887 . . . . 0.0 109.431 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.25 -34.25 72.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.06 -1.025 . . . . 0.0 108.854 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -61.84 -42.39 98.98 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mm . . . . . 0 C--N 1.305 -1.347 0 O-C-N 121.618 -0.677 . . . . 0.0 109.762 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.347 0.594 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.07 -44.34 96.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -61.75 -43.57 98.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.882 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.98 -48.65 77.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.0 110.279 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.604 ' OE1' HD13 ' B' ' 61' ' ' LEU . 1.6 tt0 -71.11 -38.12 72.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 110.08 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.29 -43.39 92.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.204 -0.935 . . . . 0.0 108.798 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.86 -40.5 95.57 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.43 -0.794 . . . . 0.0 108.952 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.07 -46.76 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.0 109.882 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 3.3 mp0 -55.33 -42.73 74.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.226 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -59.46 -46.1 89.74 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.234 -0.916 . . . . 0.0 109.183 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -75.59 -26.71 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.629 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -62.99 -42.35 99.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' OG ' ' A' ' 15' ' ' SER . 84.2 mt -86.84 -1.6 57.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 15' ' ' SER . 6.1 p 65.65 67.73 0.49 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.39 -0.819 . . . . 0.0 110.142 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -116.45 134.52 54.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 p -84.35 156.17 22.0 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.53 65.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.712 -0.618 . . . . 0.0 109.823 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -64.2 -44.27 92.48 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.444 -0.785 . . . . 0.0 110.002 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.478 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 77.8 p -61.85 -46.49 89.24 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 109.638 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.4 t -68.54 -45.14 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.373 -0.83 . . . . 0.0 110.205 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.09 99.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.847 . . . . 0.0 110.533 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -46.44 69.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 110.048 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -68.42 -37.45 80.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.282 -0.886 . . . . 0.0 109.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 70.4 mmm -62.99 -36.72 84.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.95 20.45 16.35 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.41 161.49 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.725 -0.868 . . . . 0.0 109.681 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -69.68 154.81 41.45 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.747 0.784 . . . . 0.0 110.455 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -61.83 -35.82 79.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.346 -0.846 . . . . 0.0 109.3 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.94 -42.14 97.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.302 -0.874 . . . . 0.0 109.096 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.27 -40.32 97.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.263 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -59.73 -36.8 77.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.373 -0.83 . . . . 0.0 109.492 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -61.41 -40.4 94.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.267 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -63.15 -42.92 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.19 -40.5 64.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.41 -0.806 . . . . 0.0 108.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -103.21 38.6 1.73 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.559 -0.713 . . . . 0.0 109.142 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 p -63.36 158.85 19.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.319 -0.863 . . . . 0.0 110.127 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.462 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -108.44 124.17 49.99 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.649 0.738 . . . . 0.0 109.455 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 39' ' ' GLU . 34.0 p 49.0 176.15 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.538 0.685 . . . . 0.0 110.722 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.98 131.28 23.53 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.465 -0.772 . . . . 0.0 109.262 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HG2' HG11 ' B' ' 44' ' ' VAL . 52.0 Cg_exo -48.19 144.27 13.03 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.006 1.804 . . . . 0.0 113.571 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.25 -30.44 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.636 -0.665 . . . . 0.0 109.526 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.25 -33.29 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.207 -0.933 . . . . 0.0 109.384 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.38 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.893 . . . . 0.0 109.253 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.82 -37.04 82.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 108.984 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.59 -40.03 78.11 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.67 -43.2 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.242 -0.911 . . . . 0.0 108.729 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.1 72.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.469 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.61 -47.77 83.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.297 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.6 mm? -64.04 -41.15 97.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.813 . . . . 0.0 109.26 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HE ' HD21 ' A' ' 58' ' ' LEU . 34.5 ttm180 -61.72 -41.35 97.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.293 -0.88 . . . . 0.0 108.939 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 t -56.24 -19.75 15.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.13 4.72 53.34 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.151 -0.968 . . . . 0.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 22.54 59.34 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 51' ' ' LEU . 96.1 t -67.68 132.81 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.462 -1.022 . . . . 0.0 109.436 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -78.32 76.14 4.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.598 -0.689 . . . . 0.0 110.094 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 ' HE ' ' A' ' 52' ' ' ARG . 2.3 pp -90.54 -18.63 24.92 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.8 p-10 -61.24 -42.66 99.0 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.14 77.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.486 -0.759 . . . . 0.0 109.304 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.1 tt -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.456 -0.778 . . . . 0.0 109.315 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -70.48 -34.47 72.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.271 -0.893 . . . . 0.0 109.718 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -59.81 -35.03 73.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.403 -0.811 . . . . 0.0 110.03 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -70.0 -38.21 75.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.971 -1.081 . . . . 0.0 109.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.337 -0.852 . . . . 0.0 110.898 -179.046 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.457 0.646 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.6 mp -63.01 -43.97 97.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 0.0 109.362 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t -59.41 -34.09 72.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.578 -0.701 . . . . 0.0 109.636 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ASN . . . . . 0.625 ' O ' HG23 ' B' ' 9' ' ' VAL . 37.8 t30 -60.24 -36.75 78.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.384 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -77.6 -31.2 52.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.769 -1.207 . . . . 0.0 110.313 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.61 -45.16 95.05 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.018 -1.051 . . . . 0.0 109.99 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -72.96 -38.49 66.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 5' ' ' ASN . 72.4 t -60.79 -51.2 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.349 -0.845 . . . . 0.0 109.997 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.689 -1.257 . . . . 0.0 109.04 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -62.14 -50.0 73.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.373 -0.83 . . . . 0.0 109.083 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.06 -43.68 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.836 -0.54 . . . . 0.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -61.77 -40.55 95.59 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.11 -0.994 . . . . 0.0 109.579 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.3 mt -85.84 -4.93 59.29 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.6 m 38.48 47.19 1.05 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.292 0.568 . . . . 0.0 110.136 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' B' ' 11' ' ' ARG . 2.4 pp -85.0 162.85 19.21 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 109.606 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -90.69 123.96 34.71 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.298 -0.876 . . . . 0.0 110.292 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.71 78.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.616 -0.678 . . . . 0.0 109.68 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.635 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 23.7 mtpp -60.04 -44.73 94.45 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.6 m -62.16 -41.2 98.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.376 -0.827 . . . . 0.0 109.655 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.424 HG12 ' SD ' ' B' ' 25' ' ' MET . 77.5 t -60.98 -48.54 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.889 . . . . 0.0 110.015 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.17 72.06 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.296 -0.878 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -69.74 -55.09 10.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 110.575 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.02 -38.02 78.99 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.135 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.424 ' SD ' HG12 ' B' ' 21' ' ' VAL . 74.2 mtp -63.58 -38.88 92.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.968 -1.083 . . . . 0.0 109.476 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.97 25.84 13.82 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -123.73 161.0 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.546 -0.973 . . . . 0.0 109.544 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 p -75.08 160.0 31.02 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.814 0.816 . . . . 0.0 110.374 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.635 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 6.6 mtm180 -64.49 -34.14 77.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -52.85 -46.44 67.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -0.869 . . . . 0.0 109.138 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.49 -40.91 76.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.61 -45.34 93.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.12 -34.58 77.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.374 -0.829 . . . . 0.0 109.331 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.83 -39.98 91.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.442 -0.786 . . . . 0.0 108.899 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.0 -42.86 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.442 -0.786 . . . . 0.0 109.387 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -58.09 -43.66 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.919 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 16.0 pt20 -96.32 34.92 1.53 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.194 -0.941 . . . . 0.0 109.141 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -70.39 134.0 47.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 110.015 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.15 -70.99 0.66 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.549 -0.719 . . . . 0.0 109.402 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 5.2 t -104.97 131.34 52.61 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.523 -0.736 . . . . 0.0 109.271 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.82 150.25 47.63 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.454 -0.779 . . . . 0.0 109.611 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.501 ' HB2' HG12 ' B' ' 44' ' ' VAL . 38.6 Cg_endo -67.64 155.49 69.9 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.668 2.245 . . . . 0.0 112.927 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.48 -30.08 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.619 -0.675 . . . . 0.0 110.333 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.6 HG11 ' HG2' ' A' ' 42' ' ' PRO . 12.0 p -47.42 -35.13 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 109.319 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.4 ' N ' HG13 ' B' ' 44' ' ' VAL . 86.6 t -65.72 -47.03 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 108.806 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -64.2 -36.79 85.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.022 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -57.82 -41.78 82.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -42.91 97.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.36 77.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.523 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 16.9 t80 -59.78 -48.14 82.87 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.66 -38.06 86.06 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -54.89 -42.35 72.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.396 -0.815 . . . . 0.0 108.996 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 93.3 p -58.12 -30.48 66.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.511 -0.743 . . . . 0.0 109.538 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.523 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 58.7 mttp -85.02 -3.72 58.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.223 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.91 29.66 58.75 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 120.005 -1.093 . . . . 0.0 110.936 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' HB ' HD23 ' B' ' 58' ' ' LEU . 58.4 t -63.66 140.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.929 -1.336 . . . . 0.0 109.222 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.61 54.13 0.06 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.707 -0.621 . . . . 0.0 111.952 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.421 HD23 ' HB ' ' B' ' 56' ' ' VAL . 4.0 mm? -65.69 -39.08 90.91 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.967 -1.083 . . . . 0.0 109.314 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -52.93 -44.91 67.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.38 79.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.713 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.604 HD13 ' OE1' ' A' ' 6' ' ' GLU . 53.6 tp -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.224 -0.922 . . . . 0.0 109.549 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.418 ' HB2' HH12 ' A' ' 52' ' ' ARG . 18.1 m-85 -68.36 -45.09 73.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.665 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -53.92 -30.73 47.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 109.628 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.07 -20.74 55.41 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' B' ' 62' ' ' PHE . 96.7 mt . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.643 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HG2' ' H ' ' A' ' 5' ' ' ASN . 2.3 pt-20 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.24 0.543 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.2 -44.0 96.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t -66.32 -28.25 68.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.296 -0.877 . . . . 0.0 110.493 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.469 ' H ' ' HG2' ' A' ' 2' ' ' GLU . 16.3 t-20 -62.88 -48.07 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 0.0 110.215 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.43 -31.34 71.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.59 -37.81 85.25 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -71.41 -34.26 70.17 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.055 -1.028 . . . . 0.0 110.008 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.01 -49.07 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.235 -0.916 . . . . 0.0 110.517 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.53 -38.97 85.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.243 -0.911 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 23.6 tpt85 -58.86 -48.02 82.85 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.83 -41.97 88.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.649 -0.657 . . . . 0.0 109.474 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HG3' HH11 ' A' ' 13' ' ' ARG . 1.1 tpt85 -52.5 -44.89 65.95 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.416 -0.802 . . . . 0.0 109.836 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.4 -1.88 58.23 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 108.609 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.4 p 43.02 51.41 5.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.67 -0.643 . . . . 0.0 109.39 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 64.5 mt -80.83 174.1 11.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.47 -0.769 . . . . 0.0 110.216 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -109.17 123.21 48.85 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.617 0.723 . . . . 0.0 109.799 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.7 86.97 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.537 -0.727 . . . . 0.0 109.179 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.97 -42.8 99.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.556 -0.715 . . . . 0.0 109.557 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 t -60.83 -43.88 97.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.321 -0.862 . . . . 0.0 109.686 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.442 HG22 ' CZ ' ' B' ' 50' ' ' PHE . 96.3 t -60.26 -43.4 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 0.0 109.351 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.3 73.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -65.32 -42.89 92.49 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.122 -0.987 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.77 -44.3 61.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 109.423 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 72.3 mmm -64.7 -38.93 92.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.739 -0.6 . . . . 0.0 109.551 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.76 19.7 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -123.69 165.74 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 121.525 -0.985 . . . . 0.0 109.968 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.0 m -67.24 150.94 48.39 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.528 -0.732 . . . . 0.0 110.386 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -61.4 -41.01 96.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.67 -39.68 81.35 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.301 -0.874 . . . . 0.0 109.236 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.79 -45.95 88.7 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.336 -0.853 . . . . 0.0 108.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.86 -41.54 97.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.316 -0.865 . . . . 0.0 109.161 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.01 -33.06 73.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.578 -0.701 . . . . 0.0 109.367 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 38' ' ' SER . 27.9 t-20 -62.23 -38.15 88.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.407 -0.808 . . . . 0.0 109.048 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -43.93 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.432 -0.793 . . . . 0.0 109.052 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.09 -31.74 73.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.374 -0.828 . . . . 0.0 109.402 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -100.12 1.46 42.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.855 . . . . 0.0 109.196 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' ASN . 26.4 t -67.11 150.69 48.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.775 . . . . 0.0 110.472 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 36.8 tt0 -60.34 -127.62 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.414 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -83.01 169.59 15.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.474 -0.766 . . . . 0.0 110.37 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.1 152.02 95.88 Favored Pre-proline 0 C--N 1.302 -1.462 0 O-C-N 121.408 -0.808 . . . . 0.0 109.721 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.43 156.68 65.16 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.809 2.339 . . . . 0.0 112.655 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 43' ' ' VAL . 3.3 m -64.53 -33.48 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.434 -0.791 . . . . 0.0 110.085 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -49.03 -36.69 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.234 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.45 -44.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.0 108.938 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.57 -36.55 84.16 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.323 -0.86 . . . . 0.0 109.034 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' OH ' ' NE ' ' B' ' 11' ' ' ARG . 8.7 t80 -58.22 -42.51 86.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.419 HG23 HD22 ' A' ' 58' ' ' LEU . 96.3 mt -62.54 -43.11 98.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.41 74.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.273 -0.892 . . . . 0.0 109.357 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -61.06 -50.18 74.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.161 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -67.39 -41.44 84.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.324 -0.86 . . . . 0.0 109.72 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -64.5 -42.38 95.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.2 m -58.6 -20.4 46.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.455 -0.778 . . . . 0.0 109.685 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HZ1' HD13 ' B' ' 16' ' ' LEU . 98.9 mttt -89.52 10.68 21.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.114 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.486 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 79.66 19.26 71.29 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' LEU . 82.6 t -69.63 -43.3 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.077 -1.249 . . . . 0.0 109.593 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 55' ' ' GLY . 2.0 m-20 60.75 97.71 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 121.572 0.701 . . . . 0.0 109.948 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 58' ' ' LEU . 2.2 mp -90.92 -2.22 57.75 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -55.52 -39.61 70.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.29 67.96 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.616 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.95 -42.94 99.69 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 110.137 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.83 -36.23 83.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.47 -0.769 . . . . 0.0 109.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.71 -31.55 71.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -58.83 -49.7 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.177 -0.952 . . . . 0.0 109.386 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.603 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 5' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.194 0.521 . . . . 0.0 110.477 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' B' ' 2' ' ' GLU . 20.1 mt -40.8 -40.41 1.34 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.991 -1.068 . . . . 0.0 109.595 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.9 m -61.61 -38.49 87.82 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.308 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 2' ' ' GLU . 13.1 t30 -60.09 -46.56 89.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.159 -0.963 . . . . 0.0 110.144 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' B' ' 10' ' ' GLU . 96.5 mt-10 -53.71 -54.01 44.01 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.09 -1.006 . . . . 0.0 109.642 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.8 mp -62.46 -38.74 90.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.403 -0.811 . . . . 0.0 109.841 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.447 ' HZ2' HD11 ' B' ' 12' ' ' ILE . 3.5 tmtt? -63.92 -39.89 95.22 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.121 -0.987 . . . . 0.0 109.174 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' B' ' 10' ' ' GLU . 41.4 t -56.49 -67.47 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.099 -1.001 . . . . 0.0 109.312 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -40.5 -44.37 2.04 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.79 -0.569 . . . . 0.0 109.974 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' SER . 7.1 tpp85 -54.8 -44.95 74.25 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.188 -0.945 . . . . 0.0 108.664 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.447 HD11 ' HZ2' ' B' ' 8' ' ' LYS . 97.0 mt -65.72 -43.33 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.653 -0.654 . . . . 0.0 109.568 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -59.24 -46.06 89.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.346 -0.846 . . . . 0.0 110.449 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.2 mt -95.81 -0.54 51.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.094 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' ARG . 34.8 t 38.41 60.29 1.33 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 109.826 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.501 HD13 ' HZ1' ' A' ' 54' ' ' LYS . 60.1 mt -85.46 156.88 20.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.55 -0.719 . . . . 0.0 109.89 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -101.37 135.16 43.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.433 -0.792 . . . . 0.0 110.147 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.02 78.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.554 -0.716 . . . . 0.0 109.553 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.13 -42.81 99.61 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.386 -0.821 . . . . 0.0 109.882 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' ' OE1' ' B' ' 24' ' ' GLU . 11.7 t -61.73 -46.13 90.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.196 -0.94 . . . . 0.0 109.987 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.74 -45.83 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.195 -0.94 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.05 70.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.393 -0.817 . . . . 0.0 109.285 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -69.24 -34.94 75.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.318 -0.864 . . . . 0.0 109.49 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' B' ' 20' ' ' SER . 4.9 mp0 -68.31 -67.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.336 -0.853 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.1 mtm -65.44 -39.5 92.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.991 . . . . 0.0 109.66 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 48.75 3.11 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -120.8 161.56 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.509 -0.994 . . . . 0.0 109.687 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -67.14 150.17 49.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.676 0.751 . . . . 0.0 110.376 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -62.4 -34.7 77.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.245 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.01 -43.02 77.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.5 -48.92 73.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.283 -0.886 . . . . 0.0 109.618 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.72 -43.48 96.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.0 109.924 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.2 -33.23 74.16 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.382 -0.824 . . . . 0.0 109.524 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' B' ' 38' ' ' SER . 41.0 t-20 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.35 -42.93 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 0.0 109.179 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.05 -34.76 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -113.45 17.12 18.64 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.4 -0.813 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 34' ' ' ASN . 3.6 m -67.14 148.02 52.36 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.221 -0.925 . . . . 0.0 109.844 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 40' ' ' THR . 29.6 mp0 -89.8 108.02 19.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.507 -0.746 . . . . 0.0 109.574 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.567 HG22 ' N ' ' B' ' 41' ' ' ALA . 64.0 m 55.38 163.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.502 0.668 . . . . 0.0 110.61 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.567 ' N ' HG22 ' B' ' 40' ' ' THR . . . -85.94 153.33 57.39 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.553 -0.717 . . . . 0.0 109.774 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.3 161.31 46.39 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.905 2.404 . . . . 0.0 112.991 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.407 ' H ' HG22 ' B' ' 43' ' ' VAL . 14.3 m -57.74 -18.25 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.493 -0.754 . . . . 0.0 109.684 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.07 -44.88 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.131 -0.98 . . . . 0.0 109.254 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.41 -46.81 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.296 -0.877 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.65 -38.06 89.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.483 -0.76 . . . . 0.0 109.395 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -57.65 -41.04 80.67 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.99 -44.02 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -34.12 68.95 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.442 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 2.8 t80 -61.78 -48.04 82.43 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 108.68 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.92 -42.35 97.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -0.774 . . . . 0.0 109.561 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -64.29 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.343 -0.848 . . . . 0.0 109.216 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -59.05 -17.79 28.9 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.493 -0.754 . . . . 0.0 109.528 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -97.38 2.92 51.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -0.844 . . . . 0.0 108.837 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.07 23.72 63.07 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.698 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.25 -18.91 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.07 -1.253 . . . . 0.0 109.155 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' B' ' 59' ' ' ASN . 80.4 m-20 59.25 51.46 6.84 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.54 HD11 HD22 ' B' ' 61' ' ' LEU . 13.1 tp -61.29 -0.8 0.4 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.576 -0.703 . . . . 0.0 109.484 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' B' ' 57' ' ' ASP . 60.7 m-20 -62.0 -40.98 97.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.375 -0.828 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.78 87.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.0 110.213 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.54 HD22 HD11 ' B' ' 58' ' ' LEU . 7.2 tp -61.98 -46.51 88.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.922 . . . . 0.0 109.702 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.06 -45.97 86.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.224 -0.922 . . . . 0.0 109.336 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.82 -33.15 73.63 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -50.63 71.62 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.109 -0.994 . . . . 0.0 108.617 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.237 -0.914 . . . . 0.0 109.508 179.593 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.383 0.611 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.13 -45.24 94.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.388 -0.82 . . . . 0.0 109.739 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 t -65.14 -33.9 77.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -59.35 -46.94 87.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.092 -1.005 . . . . 0.0 109.514 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.7 -31.64 68.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.069 -1.019 . . . . 0.0 108.962 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.52 -43.45 98.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -62.69 -39.54 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.32 -43.45 93.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.16 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.75 -50.69 67.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.995 -1.066 . . . . 0.0 109.294 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.4 ttp180 -61.56 -41.82 97.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 109.041 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.45 -44.07 98.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.947 -1.096 . . . . 0.0 109.466 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.44 -44.68 96.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.17 -0.956 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.7 mt -92.28 -0.58 57.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.117 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' ARG . 4.5 p 40.7 46.76 2.31 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.677 -0.64 . . . . 0.0 109.327 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 tp -79.97 157.0 26.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.438 -0.789 . . . . 0.0 110.025 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -101.9 137.52 40.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.449 -0.782 . . . . 0.0 110.343 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.51 87.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.595 -0.691 . . . . 0.0 109.797 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.64 -43.62 98.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 109.722 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -60.61 -45.41 94.13 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.163 -0.96 . . . . 0.0 109.886 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.419 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 73.7 t -66.35 -43.83 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 110.215 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.62 72.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 110.533 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.41 -46.4 66.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.041 -1.037 . . . . 0.0 110.701 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.36 -48.66 80.81 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.168 -0.958 . . . . 0.0 109.697 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.419 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 81.0 mtp -62.78 -38.61 91.31 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.078 -1.013 . . . . 0.0 109.985 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.37 19.14 9.06 Favored Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 pt -123.83 162.97 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.723 -0.869 . . . . 0.0 109.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 165.46 22.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.642 0.734 . . . . 0.0 110.427 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -63.19 -35.57 80.74 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.72 -42.38 97.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.459 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.91 -42.33 94.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.586 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.56 -41.08 98.44 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 109.242 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.53 -33.11 72.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.488 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.78 -42.08 96.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.24 -0.913 . . . . 0.0 108.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.33 -44.43 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 109.093 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' NH2' ' A' ' 11' ' ' ARG . 35.3 tt0 -58.8 -22.49 58.5 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -90.95 15.26 11.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -60.0 141.6 55.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.522 -0.737 . . . . 0.0 109.847 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -125.9 -60.25 1.3 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.0 m -116.41 127.48 54.66 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.37 151.42 46.31 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 121.075 -1.016 . . . . 0.0 111.57 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.89 151.72 62.85 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.946 2.431 . . . . 0.0 112.852 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' B' ' 35' ' ' ILE . 4.1 m -63.32 -10.3 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.509 -0.744 . . . . 0.0 109.636 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.46 -43.69 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.14 -45.44 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.315 -0.866 . . . . 0.0 109.609 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' B' ' 65' ' ' ILE . 67.7 mttm -62.65 -40.46 97.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.754 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.12 -39.55 82.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 0.0 108.913 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.14 -43.17 97.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.95 74.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.37 -0.831 . . . . 0.0 109.053 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.26 -49.33 78.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.253 -0.904 . . . . 0.0 108.945 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.28 -39.61 68.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.457 -0.777 . . . . 0.0 109.9 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.41 -41.79 90.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 m -58.61 -22.27 55.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.441 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.46 3.33 55.22 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.278 -0.889 . . . . 0.0 109.312 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 20.86 59.41 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 132.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.984 -1.304 . . . . 0.0 109.03 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.4 m-20 -71.38 105.11 3.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.491 -0.756 . . . . 0.0 110.762 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 pp -90.5 -17.08 27.7 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -63.05 -41.29 99.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.539 0.685 . . . . 0.0 109.226 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.3 79.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.328 -0.858 . . . . 0.0 109.782 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 61' ' ' LEU . 11.0 mp -62.14 -40.97 97.73 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.487 -0.758 . . . . 0.0 109.637 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.16 -41.1 70.83 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.044 -1.035 . . . . 0.0 109.764 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -52.43 -40.92 62.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.08 -1.012 . . . . 0.0 108.98 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.522 HH11 ' CD ' ' B' ' 6' ' ' GLU . 0.2 OUTLIER -68.63 -37.46 79.75 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.115 -0.991 . . . . 0.0 108.605 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG22 ' NZ ' ' B' ' 46' ' ' LYS . 96.9 mt . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.322 -0.861 . . . . 0.0 110.314 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.556 0.693 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.38 -44.33 96.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.469 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 36' ' ' GLU . 5.1 t -67.53 -33.16 74.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.29 -0.881 . . . . 0.0 109.95 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.95 -47.25 86.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.522 ' CD ' HH11 ' A' ' 64' ' ' ARG . 44.3 mt-10 -73.85 -34.75 64.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.128 -0.982 . . . . 0.0 109.958 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.49 -45.72 93.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.981 . . . . 0.0 109.452 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.99 -43.17 93.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.677 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.0 109.899 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.55 -34.21 70.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.136 -0.978 . . . . 0.0 108.485 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -60.85 -45.34 94.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 108.453 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.07 -43.12 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.476 -0.765 . . . . 0.0 109.717 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -59.49 -41.03 88.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.0 109.374 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.41 0.2 57.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.317 -0.865 . . . . 0.0 108.977 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p 43.77 64.48 1.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 109.812 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -112.08 147.84 35.18 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.236 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.429 ' OG1' ' OG ' ' B' ' 20' ' ' SER . 14.4 p -100.12 140.16 34.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.493 -0.754 . . . . 0.0 109.876 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.82 91.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.445 -0.784 . . . . 0.0 109.645 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.308 -0.87 . . . . 0.0 109.835 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.429 ' OG ' ' OG1' ' B' ' 17' ' ' THR . 58.2 m -59.95 -45.21 93.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 110.219 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.2 -46.67 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.06 -1.025 . . . . 0.0 109.798 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.78 82.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.272 -0.893 . . . . 0.0 109.911 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -63.77 -54.21 38.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.262 -0.899 . . . . 0.0 110.287 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.83 -40.64 91.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.186 -0.946 . . . . 0.0 109.03 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 62.7 mmm -62.98 -38.91 93.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.586 -0.696 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.9 8.06 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.65 162.66 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.55 -0.971 . . . . 0.0 109.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -65.44 148.2 52.12 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.658 0.742 . . . . 0.0 110.303 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -61.44 -40.8 95.8 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.09 -37.69 86.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.78 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.418 ' NE2' HG11 ' A' ' 43' ' ' VAL . 59.1 tt0 -61.37 -41.56 97.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.032 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 35' ' ' ILE . 55.4 tp -64.29 -39.84 94.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.262 -0.899 . . . . 0.0 109.024 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -58.86 -33.2 70.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.409 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -62.93 -39.71 95.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.902 -1.124 . . . . 0.0 109.029 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.588 HD12 HD12 ' B' ' 32' ' ' LEU . 96.6 mt -62.1 -45.33 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.871 . . . . 0.0 110.836 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.402 ' O ' ' OG ' ' B' ' 4' ' ' SER . 14.5 pt-20 -81.55 -12.41 58.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 109.874 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -104.18 18.71 21.53 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -66.07 158.37 28.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.499 -0.751 . . . . 0.0 109.932 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -116.14 -49.76 2.68 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.766 -0.584 . . . . 0.0 109.773 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -121.19 130.75 53.85 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 109.065 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 146.18 58.32 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.238 -0.913 . . . . 0.0 109.554 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.16 152.6 67.3 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.374 2.049 . . . . 0.0 112.607 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.413 ' H ' HG22 ' B' ' 43' ' ' VAL . 11.1 m -65.63 -31.06 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.452 -0.78 . . . . 0.0 110.192 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.436 ' H ' HG13 ' B' ' 44' ' ' VAL . 4.2 m -44.11 -36.79 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.423 -0.798 . . . . 0.0 109.846 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.415 ' N ' HG23 ' B' ' 44' ' ' VAL . 93.0 t -62.58 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.423 ' NZ ' HG22 ' A' ' 65' ' ' ILE . 67.8 mttm -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.353 -0.842 . . . . 0.0 109.154 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.86 -44.81 96.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.831 . . . . 0.0 109.311 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.43 -43.29 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.0 109.271 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.86 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.297 -0.877 . . . . 0.0 109.064 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.66 -45.37 94.37 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.16 -40.88 98.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.307 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -63.56 -36.68 84.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.327 -0.858 . . . . 0.0 109.474 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.4 m -56.8 -34.52 67.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.324 -0.86 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.23 -0.11 56.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.532 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.11 25.32 71.47 Favored Glycine 0 N--CA 1.493 2.446 0 C-N-CA 119.901 -1.142 . . . . 0.0 110.295 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 58' ' ' LEU . 40.7 t -54.58 144.86 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.082 -1.246 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.87 70.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.9 tp -89.23 -10.94 45.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 108.796 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -62.39 -42.33 99.34 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.35 88.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.669 -0.644 . . . . 0.0 110.394 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 61' ' ' LEU . 11.0 mp -61.24 -44.34 97.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.14 -0.975 . . . . 0.0 109.402 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.92 -43.15 84.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.004 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.53 -45.71 18.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.287 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -71.45 -41.66 69.16 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.226 -0.921 . . . . 0.0 110.292 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 96.9 mt . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.779 -1.201 . . . . 0.0 109.882 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.8 -41.19 99.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.898 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -60.61 -42.02 95.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.1 t30 -66.81 -49.66 65.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -59.24 -45.29 91.55 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.55 HD11 HD11 ' B' ' 51' ' ' LEU . 36.4 tp -63.04 -42.35 99.72 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.86 -36.37 83.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.498 -0.751 . . . . 0.0 109.538 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' ASN . 47.1 t -60.98 -45.91 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.201 -0.937 . . . . 0.0 109.462 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -67.25 -36.99 82.75 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.066 -1.021 . . . . 0.0 108.756 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' A' ' 36' ' ' GLU . 8.8 ttt85 -58.93 -44.36 91.35 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.37 -41.78 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -54.21 -45.54 72.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.533 -0.729 . . . . 0.0 109.412 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -95.88 -2.06 48.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.197 -0.94 . . . . 0.0 108.615 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p 44.33 79.6 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.545 -0.722 . . . . 0.0 109.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.62 157.62 17.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 p -98.36 128.5 44.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.4 -0.812 . . . . 0.0 109.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.85 85.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.95 -46.56 87.16 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.235 -0.915 . . . . 0.0 110.033 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -64.05 -45.16 90.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 0.0 109.916 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 61.3 t -63.85 -45.65 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 110.14 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.37 90.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -46.6 79.22 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.002 -1.061 . . . . 0.0 109.632 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.3 -44.05 69.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.319 -0.863 . . . . 0.0 109.641 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 76.6 mtp -65.42 -38.89 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 0.0 109.685 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.93 30.29 13.34 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -125.31 164.98 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.649 -0.912 . . . . 0.0 109.527 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -72.43 153.17 41.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.304 -0.872 . . . . 0.0 110.097 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -63.06 -36.27 83.0 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -61.92 -39.69 92.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.276 -0.89 . . . . 0.0 108.678 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -63.65 -44.65 93.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.42 -42.44 98.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.223 -0.923 . . . . 0.0 109.073 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.91 -34.88 78.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.294 -0.879 . . . . 0.0 109.682 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -62.22 -41.28 98.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' B' ' 43' ' ' VAL . 61.3 mt -64.9 -44.85 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 109.797 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' A' ' 11' ' ' ARG . 40.0 tt0 -63.16 -22.88 67.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.191 -0.943 . . . . 0.0 108.992 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -93.22 -5.64 49.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.386 -0.821 . . . . 0.0 109.168 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 m -174.75 119.7 0.22 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -0.88 . . . . 0.0 109.398 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -113.22 125.48 54.37 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.461 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.479 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 49.9 p -97.48 134.79 40.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.434 -0.791 . . . . 0.0 109.225 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.51 90.44 14.63 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.408 -0.808 . . . . 0.0 109.352 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.85 163.82 30.77 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.025 1.816 . . . . 0.0 112.736 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -58.41 -20.72 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.499 -0.751 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.06 -45.24 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 109.424 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.96 -45.68 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 109.689 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -62.93 -37.17 85.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 109.431 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' OH ' ' NH1' ' B' ' 11' ' ' ARG . 16.4 t80 -55.49 -43.86 76.0 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.23 -44.55 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.458 -0.776 . . . . 0.0 109.359 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . . . -61.58 -31.36 71.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.293 -0.879 . . . . 0.0 109.174 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -60.29 -45.39 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.4 -37.68 86.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.452 -0.78 . . . . 0.0 109.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' A' ' 49' ' ' ALA . 11.2 mtm105 -59.99 -32.92 71.3 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.326 -0.859 . . . . 0.0 109.604 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -54.31 -38.49 66.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.133 -0.98 . . . . 0.0 109.243 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' CD1' ' B' ' 16' ' ' LEU . 49.2 mtmt -84.57 -0.33 52.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.193 -0.942 . . . . 0.0 109.664 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.9 26.39 45.5 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.671 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.48 133.0 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.912 -1.346 . . . . 0.0 108.634 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -79.68 89.96 5.18 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.349 -0.844 . . . . 0.0 110.27 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.753 ' H ' HD23 ' A' ' 58' ' ' LEU . 1.7 pt? -87.44 -22.22 25.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.399 -0.813 . . . . 0.0 109.319 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -40.57 90.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.84 . . . . 0.0 109.207 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.97 72.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 0.0 110.039 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' CD1' ' OE2' ' B' ' 10' ' ' GLU . 93.7 mt -64.02 -44.27 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.133 -0.98 . . . . 0.0 109.406 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.47 -46.89 74.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.807 . . . . 0.0 110.208 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.881 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -65.75 -45.16 83.61 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.391 -0.818 . . . . 0.0 111.584 -178.209 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.538 0.685 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.11 -40.93 95.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.409 -0.807 . . . . 0.0 109.86 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -57.76 -38.89 76.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 109.021 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.97 -39.86 91.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.457 -0.777 . . . . 0.0 109.341 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -58.51 -43.42 89.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.415 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.4 mp -62.72 -41.3 99.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 109.524 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -62.33 -36.6 82.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.919 -1.113 . . . . 0.0 109.28 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.34 -46.7 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.084 -1.01 . . . . 0.0 109.561 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.451 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 79.6 mt-10 -63.4 -37.73 88.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.992 -1.068 . . . . 0.0 109.323 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.424 ' NH1' ' OH ' ' A' ' 47' ' ' TYR . 7.0 tpt180 -60.03 -46.73 88.54 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.317 -0.865 . . . . 0.0 109.042 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -74.17 -35.01 39.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -58.3 -46.46 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.381 -0.824 . . . . 0.0 109.397 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.6 mt -97.77 -0.06 45.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 109.033 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.413 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.0 p 41.54 68.51 0.44 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.593 -0.692 . . . . 0.0 109.81 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.444 ' CD1' ' NZ ' ' A' ' 54' ' ' LYS . 53.4 mt -79.02 155.92 28.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.394 -0.816 . . . . 0.0 109.401 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -97.36 140.45 31.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.219 -0.926 . . . . 0.0 109.894 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.39 83.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.22 -0.925 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.15 -45.57 94.1 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.295 -0.878 . . . . 0.0 109.852 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t -62.31 -51.55 67.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 110.397 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.0 -45.33 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.09 -1.006 . . . . 0.0 109.831 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.469 ' CB ' ' NH1' ' B' ' 29' ' ' ARG . . . -64.4 -35.77 81.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.287 -0.883 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.97 -52.71 63.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.032 -1.043 . . . . 0.0 110.585 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -69.15 -40.56 78.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.841 -1.162 . . . . 0.0 109.73 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 78.1 mmm -64.57 -39.31 93.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.421 -0.8 . . . . 0.0 109.595 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.32 30.86 23.9 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.32 163.56 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.546 -0.973 . . . . 0.0 109.554 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -73.05 163.73 27.73 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.332 -0.855 . . . . 0.0 109.979 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.469 ' NH1' ' CB ' ' B' ' 22' ' ' ALA . 71.1 mmt-85 -64.23 -36.84 85.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.42 -42.33 95.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.035 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -63.39 -44.79 93.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.57 -42.3 98.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.365 -0.834 . . . . 0.0 109.464 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' CYS . . . . . 0.438 ' SG ' ' OE1' ' B' ' 37' ' ' GLN . 0.5 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.278 -0.889 . . . . 0.0 109.521 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -62.34 -41.29 98.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.101 -0.999 . . . . 0.0 109.659 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.96 -48.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 109.692 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.56 -32.32 72.15 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.205 -0.935 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.438 ' OE1' ' SG ' ' B' ' 33' ' ' CYS . 51.0 mt-30 -86.88 -3.18 59.04 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.994 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -171.12 101.55 0.21 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.045 -1.034 . . . . 0.0 109.872 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.06 100.11 13.02 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.9 p -68.45 136.91 53.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 0.0 109.763 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.25 82.58 38.39 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 0.0 109.363 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.91 158.58 42.46 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.24 1.96 . . . . 0.0 112.679 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.409 ' CG2' HD11 ' A' ' 35' ' ' ILE . 7.0 m -50.27 -15.38 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.528 -0.733 . . . . 0.0 110.259 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.426 HG21 ' OE2' ' A' ' 39' ' ' GLU . 99.3 t -60.75 -45.71 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.081 -1.012 . . . . 0.0 109.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.84 -42.95 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -0.893 . . . . 0.0 108.845 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -60.0 -37.82 80.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.456 -0.778 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -48.51 81.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.153 -0.967 . . . . 0.0 108.863 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.92 -43.0 96.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 109.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.502 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -51.35 -45.26 62.28 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.191 -0.943 . . . . 0.0 109.371 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.14 -44.42 94.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.169 -0.957 . . . . 0.0 108.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.55 HD11 HD11 ' A' ' 7' ' ' LEU . 92.1 mt -62.23 -37.91 87.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.305 -0.872 . . . . 0.0 109.108 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.502 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 69.3 mtm180 -60.06 -29.58 68.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -53.21 -33.79 54.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 108.844 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -95.4 -2.84 48.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.148 -0.97 . . . . 0.0 109.458 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.56 41.03 25.82 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' LEU . 76.9 t -65.84 134.57 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.255 . . . . 0.0 109.753 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -52.12 86.45 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.491 -0.755 . . . . 0.0 110.147 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 2.5 pp -90.7 -27.8 18.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 109.474 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -63.69 -44.78 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.926 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.417 ' O ' ' NH1' ' B' ' 64' ' ' ARG . . . -70.55 -38.32 74.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.278 -0.889 . . . . 0.0 109.646 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.18 -44.53 96.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.877 . . . . 0.0 109.596 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.74 -38.58 80.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.218 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.47 -47.82 78.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.906 -1.121 . . . . 0.0 110.66 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' B' ' 60' ' ' ALA . 54.4 mtt85 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.004 -1.06 . . . . 0.0 110.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.005 . . . . 0.0 111.148 -178.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 3' ' ' LEU . 37.1 tt0 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' B' ' 65' ' ' ILE . 24.1 mt -61.41 -45.42 94.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.124 . . . . 0.0 109.861 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 t -75.13 -32.37 61.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.232 -0.918 . . . . 0.0 109.215 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -64.46 -46.59 82.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.498 -0.751 . . . . 0.0 109.616 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -71.7 -38.17 70.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.339 -0.851 . . . . 0.0 109.842 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.63 -41.34 98.97 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.231 -0.918 . . . . 0.0 108.817 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.79 -37.61 87.37 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.699 -0.625 . . . . 0.0 109.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.53 -44.27 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.132 -0.98 . . . . 0.0 108.784 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -55.96 -40.16 72.82 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.342 -0.849 . . . . 0.0 108.828 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.44 -49.68 76.61 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.199 -0.938 . . . . 0.0 108.827 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.02 -43.84 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.738 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -65.02 -41.12 95.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.404 -0.81 . . . . 0.0 109.748 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -84.26 -3.89 58.5 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 p 44.01 69.26 0.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.552 -0.717 . . . . 0.0 110.148 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.599 HD13 ' NZ ' ' B' ' 54' ' ' LYS . 91.6 mt -103.64 147.68 26.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.516 -0.74 . . . . 0.0 109.819 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.1 p -98.34 131.74 44.39 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.538 0.685 . . . . 0.0 109.78 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -35.52 80.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.65 -47.08 85.27 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.755 . . . . 0.0 110.028 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -60.11 -45.38 93.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 0.0 110.151 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.507 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 74.2 t -67.48 -42.76 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.928 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.86 85.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.281 -0.887 . . . . 0.0 110.382 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.15 -44.94 95.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.989 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.356 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 92.7 mtp -65.04 -38.25 90.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.393 -0.817 . . . . 0.0 109.695 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 31.36 7.8 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 pt -124.7 161.45 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.526 -0.985 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -76.04 162.38 28.09 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.229 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -62.84 -33.73 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.33 -40.48 93.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.307 -0.871 . . . . 0.0 109.54 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.08 -41.44 96.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.322 -0.861 . . . . 0.0 108.913 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' B' ' 47' ' ' TYR . 14.2 tp -64.65 -41.64 95.97 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.9 m -66.91 -32.87 74.42 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.536 -0.727 . . . . 0.0 109.9 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' SER . 72.0 m-20 -60.64 -43.71 97.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.0 109.924 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.86 -46.18 96.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 120.994 -1.066 . . . . 0.0 109.581 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -77.32 -6.14 52.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.323 -0.861 . . . . 0.0 109.691 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -107.86 -23.81 11.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.416 -0.803 . . . . 0.0 108.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' ASN . 14.5 m -82.9 -143.16 0.06 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.349 -0.844 . . . . 0.0 110.256 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.555 ' C ' ' H ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -87.73 -18.91 28.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.426 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.3 m 60.84 -5.11 0.11 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.72 -0.613 . . . . 0.0 109.81 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.555 ' H ' ' C ' ' A' ' 39' ' ' GLU . . . -131.01 84.95 56.45 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.44 -0.788 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.01 158.65 52.05 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.314 2.009 . . . . 0.0 112.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -56.2 -16.65 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.12 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -61.32 -42.52 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.65 -44.08 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.264 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.69 -39.85 90.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.283 -0.886 . . . . 0.0 109.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' B' ' 32' ' ' LEU . 0.3 OUTLIER -56.34 -47.88 77.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.488 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.69 -43.45 98.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.693 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.49 94.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.691 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.77 -42.68 99.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.407 -0.808 . . . . 0.0 109.743 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.1 mt -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.074 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.6 -35.97 77.42 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.435 -0.791 . . . . 0.0 109.6 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.1 p -55.56 -22.42 21.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 109.684 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' CB ' HD13 ' B' ' 14' ' ' LEU . 1.6 mptm? -96.08 -4.27 43.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.077 -1.014 . . . . 0.0 108.841 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.62 28.28 22.21 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.73 135.03 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.127 -1.22 . . . . 0.0 110.261 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 38.0 p30 -74.92 100.1 4.02 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.874 0.845 . . . . 0.0 110.28 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.38 -15.15 29.42 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.442 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 2.8 m-20 -60.44 -49.54 77.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.485 -0.76 . . . . 0.0 109.581 -179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -43.2 97.09 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.35 -0.844 . . . . 0.0 110.012 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.19 -44.41 92.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.373 -0.829 . . . . 0.0 109.528 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.04 -43.66 70.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 63.9 m-20 -64.58 -32.36 73.97 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -47.5 70.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.303 -1.427 0 O-C-N 121.61 -0.681 . . . . 0.0 109.208 -179.594 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.596 0.713 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.508 ' C ' HD23 ' B' ' 3' ' ' LEU . 3.2 tt -51.09 -59.04 4.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.561 -0.712 . . . . 0.0 110.077 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.2 p -61.44 -33.03 73.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.894 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ASN . . . . . 0.481 ' O ' HG23 ' B' ' 9' ' ' VAL . 24.7 t-20 -64.6 -45.38 87.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 109.645 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -72.25 -38.32 68.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -0.938 . . . . 0.0 109.566 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 51' ' ' LEU . 57.9 tp -62.9 -43.62 98.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.385 -0.822 . . . . 0.0 109.496 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.92 -37.67 88.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.499 -0.75 . . . . 0.0 109.644 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 5' ' ' ASN . 47.1 t -61.4 -44.3 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.787 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -64.75 -34.99 79.64 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.996 -1.065 . . . . 0.0 109.647 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.555 HH22 ' CD ' ' B' ' 36' ' ' GLU . 48.8 ttp180 -61.83 -38.87 89.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.278 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.46 -42.9 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 CA-C-O 121.434 0.635 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 33.2 mtp-105 -54.11 -43.06 70.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.383 -0.823 . . . . 0.0 109.289 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.412 HD13 ' CB ' ' A' ' 54' ' ' LYS . 84.4 mt -87.56 -4.81 58.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.857 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.0 m 47.56 77.89 0.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.624 -0.672 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.43 138.28 35.12 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.819 0.818 . . . . 0.0 109.778 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.8 p -92.05 138.49 31.49 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 109.683 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.25 82.62 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.554 -0.717 . . . . 0.0 109.508 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.66 -48.62 74.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -62.08 -45.01 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.39 -0.819 . . . . 0.0 109.813 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.05 -43.48 85.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.561 -0.712 . . . . 0.0 109.942 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -51.1 71.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.427 -0.796 . . . . 0.0 110.841 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.79 -49.92 73.05 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.183 -0.948 . . . . 0.0 110.445 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.36 -39.69 92.63 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.027 -1.045 . . . . 0.0 109.889 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.05 -35.61 81.73 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.151 -0.968 . . . . 0.0 109.133 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.2 18.91 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 pt -128.72 165.21 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.551 -0.97 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -79.74 166.29 21.93 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.66 0.743 . . . . 0.0 110.524 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -64.97 -37.38 87.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.56 -0.713 . . . . 0.0 109.29 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.15 -38.93 92.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.511 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -61.21 -45.61 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 0.0 108.725 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 47' ' ' TYR . 48.5 tp -64.96 -38.83 92.27 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -40.46 76.06 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.555 -0.716 . . . . 0.0 109.677 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -62.09 -43.56 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.382 -0.824 . . . . 0.0 109.364 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 39' ' ' GLU . 66.6 mt -64.18 -45.14 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.368 -0.833 . . . . 0.0 109.226 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.555 ' CD ' HH22 ' B' ' 11' ' ' ARG . 78.9 tt0 -71.74 -17.16 62.22 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.442 -0.786 . . . . 0.0 110.012 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -96.32 -15.51 21.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -0.996 . . . . 0.0 108.835 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.5 p -155.53 47.93 0.52 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' B' ' 40' ' ' THR . 0.0 OUTLIER -52.22 -81.83 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.522 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m 53.47 158.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.724 0.773 . . . . 0.0 110.853 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.46 ' N ' HG22 ' B' ' 40' ' ' THR . . . -89.94 125.44 60.7 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.89 -1.131 . . . . 0.0 110.345 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.69 161.81 30.46 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.622 2.215 . . . . 0.0 112.504 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.97 -20.44 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.245 -0.909 . . . . 0.0 109.459 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.41 -43.77 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.408 -0.807 . . . . 0.0 109.434 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.89 -41.29 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.424 -0.797 . . . . 0.0 109.438 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.73 -41.28 86.07 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.272 -0.893 . . . . 0.0 109.562 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.95 -45.92 91.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.045 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.67 -43.18 94.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.154 -0.966 . . . . 0.0 109.465 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.25 90.42 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.146 -0.971 . . . . 0.0 109.871 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -46.06 90.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.169 -0.957 . . . . 0.0 109.548 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.48 -38.38 90.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.48 -0.762 . . . . 0.0 109.277 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.82 96.22 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.799 . . . . 0.0 109.815 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -64.65 -15.99 62.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 0.0 109.757 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.599 ' NZ ' HD13 ' A' ' 16' ' ' LEU . 98.5 mttt -88.89 7.96 31.75 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.67 13.8 74.74 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.58 136.15 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.328 . . . . 0.0 109.967 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.83 80.0 9.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.567 -0.708 . . . . 0.0 111.085 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 4.0 mm? -68.09 -40.96 82.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -46.76 47.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.448 -0.782 . . . . 0.0 109.434 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.91 85.69 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.543 -0.723 . . . . 0.0 109.856 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.416 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -67.6 -35.55 79.19 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.399 -0.813 . . . . 0.0 109.298 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.58 -31.52 68.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.525 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.495 HH11 ' HG2' ' B' ' 64' ' ' ARG . 28.9 mtp85 -59.71 -34.09 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 108.643 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.53 ' CD1' HD21 ' A' ' 3' ' ' LEU . 96.6 mt . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 109.802 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.261 0.553 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.94 -44.59 95.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.221 -0.925 . . . . 0.0 109.828 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p -62.28 -35.69 79.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 109.63 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -64.83 -39.91 94.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.411 -0.806 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 37.1 mm-40 -59.76 -52.28 66.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 110.08 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 7' ' ' LEU . 11.0 mp -61.84 -39.19 90.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 109.522 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -59.51 -40.36 86.82 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.211 -0.931 . . . . 0.0 109.328 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.19 -45.68 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 109.859 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 1.2 mp0 -61.06 -40.82 95.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.31 -0.868 . . . . 0.0 110.209 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 15' ' ' SER . 52.5 mtp180 -58.81 -42.98 90.42 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.92 -1.112 . . . . 0.0 108.452 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.94 -43.33 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -60.82 -44.95 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.334 -0.854 . . . . 0.0 109.468 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' SER . 91.4 mt -92.78 -2.01 56.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 108.658 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.1 t 36.78 64.26 0.59 Allowed 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.359 0.6 . . . . 0.0 110.331 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -107.28 134.95 49.62 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.469 0.652 . . . . 0.0 109.592 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 p -82.52 158.74 23.03 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.66 0.743 . . . . 0.0 110.412 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.36 -38.28 74.75 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.9 -46.98 82.42 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -61.09 -45.53 94.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.886 . . . . 0.0 109.374 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.92 -42.74 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.388 -0.82 . . . . 0.0 109.481 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.65 89.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.466 -0.771 . . . . 0.0 109.832 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -62.04 -49.99 73.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.121 -0.987 . . . . 0.0 109.755 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' OE1' ' CE1' ' B' ' 50' ' ' PHE . 4.7 tm-20 -70.4 -43.07 70.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.938 . . . . 0.0 110.064 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.8 -39.17 90.67 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.599 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.09 18.08 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.99 166.15 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.466 -1.02 . . . . 0.0 110.028 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -73.43 161.55 30.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.672 0.749 . . . . 0.0 110.169 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -64.91 -38.86 92.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.518 -0.739 . . . . 0.0 109.243 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -65.26 -40.02 93.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.394 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -61.15 -43.62 98.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.363 -0.836 . . . . 0.0 109.357 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.345 -0.847 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.64 -38.96 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.414 -0.804 . . . . 0.0 109.856 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 38' ' ' SER . 36.0 t30 -63.16 -37.38 87.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 109.919 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' B' ' 43' ' ' VAL . 94.0 mt -61.47 -42.7 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.832 . . . . 0.0 109.257 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -65.17 -37.89 88.81 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.164 -0.96 . . . . 0.0 110.478 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -109.05 19.74 19.19 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.346 -0.846 . . . . 0.0 109.206 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' ASN . 7.7 t -61.33 -40.7 95.2 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 0.0 109.68 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 56.63 -88.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.573 0.701 . . . . 0.0 109.761 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' SER . 9.5 m -56.77 97.15 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.3 -0.875 . . . . 0.0 109.462 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.87 151.16 76.22 Favored Pre-proline 0 C--N 1.304 -1.405 0 O-C-N 121.48 -0.762 . . . . 0.0 109.61 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.01 152.22 80.66 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.514 2.143 . . . . 0.0 112.951 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 p -63.73 -26.64 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.87 -33.81 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.018 -1.052 . . . . 0.0 109.619 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.51 -43.97 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.22 -0.925 . . . . 0.0 108.867 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.39 -40.99 98.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.537 -0.727 . . . . 0.0 109.501 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.02 -41.46 98.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -0.849 . . . . 0.0 109.082 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.85 -43.77 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.327 -0.858 . . . . 0.0 108.841 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.82 70.36 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.36 -0.837 . . . . 0.0 108.987 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -62.9 -49.21 75.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.452 -0.78 . . . . 0.0 109.658 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.05 -21.89 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.453 -0.779 . . . . 0.0 109.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -61.91 -42.8 99.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -58.8 -33.49 70.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.603 -0.686 . . . . 0.0 109.223 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -75.52 1.6 13.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.228 -0.92 . . . . 0.0 108.643 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.94 32.54 84.36 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.91 -21.31 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.71 -1.465 . . . . 0.0 108.95 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.558 ' OD1' ' ND2' ' A' ' 59' ' ' ASN . 25.6 t0 66.84 82.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.549 0.69 . . . . 0.0 109.866 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.6 mt -92.06 -27.38 17.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.657 -0.652 . . . . 0.0 109.459 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.558 ' ND2' ' OD1' ' A' ' 57' ' ' ASP . 1.4 p-10 -43.14 -41.23 3.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -41.55 73.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.4 tt -63.06 -50.08 72.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.349 -0.844 . . . . 0.0 109.389 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.44 -0.788 . . . . 0.0 109.832 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.75 -37.53 51.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.396 -0.815 . . . . 0.0 109.912 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -71.19 -9.57 58.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.131 -0.98 . . . . 0.0 109.68 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.302 -0.874 . . . . 0.0 109.299 179.828 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.736 0.779 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.5 -43.52 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.522 -0.736 . . . . 0.0 109.791 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -66.06 -40.28 90.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.223 -0.923 . . . . 0.0 110.188 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -64.77 -45.99 84.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 110.059 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.78 -36.54 78.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.253 -0.905 . . . . 0.0 109.232 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.9 tp -62.92 -41.75 99.57 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 109.246 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.44 ' NZ ' ' NH1' ' B' ' 11' ' ' ARG . 11.5 mmtt -64.99 -37.79 88.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.458 -0.776 . . . . 0.0 110.028 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.47 -44.18 92.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.344 -0.848 . . . . 0.0 109.223 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -64.39 -43.0 95.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.16 -0.963 . . . . 0.0 110.067 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 15' ' ' SER . 43.0 ttt180 -60.91 -44.89 96.54 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.904 -1.122 . . . . 0.0 109.109 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.12 -42.3 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -45.32 78.67 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' B' ' 15' ' ' SER . 91.3 mt -92.24 -2.14 56.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.514 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.5 m 36.41 73.22 0.09 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.271 0.558 . . . . 0.0 110.236 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -101.43 138.17 38.8 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.684 0.754 . . . . 0.0 109.995 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p -82.04 136.71 35.19 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.557 0.694 . . . . 0.0 110.131 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.75 85.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.463 -0.773 . . . . 0.0 109.666 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.87 -47.64 82.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.828 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.9 -46.28 88.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 110.075 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.68 -43.51 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.28 -0.887 . . . . 0.0 109.839 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.21 86.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.438 -0.789 . . . . 0.0 109.995 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.53 -45.33 79.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.959 . . . . 0.0 109.61 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -74.44 -36.49 63.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.974 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mmm -64.65 -36.37 84.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.368 -0.832 . . . . 0.0 109.259 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.38 24.16 27.15 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.0 pt -124.62 165.38 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.494 -1.003 . . . . 0.0 109.934 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -72.69 160.43 32.23 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.454 -0.778 . . . . 0.0 110.267 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.7 -40.71 97.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.57 -0.706 . . . . 0.0 109.28 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.37 -40.96 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.422 -0.799 . . . . 0.0 109.635 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -62.45 -39.83 94.63 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 109.226 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.99 -40.98 97.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.278 -0.889 . . . . 0.0 109.328 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.12 -35.52 78.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.468 -0.77 . . . . 0.0 109.35 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.27 -39.67 93.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.335 -0.853 . . . . 0.0 109.055 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.53 -43.94 98.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.435 -0.79 . . . . 0.0 109.125 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.94 -34.35 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 109.3 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -92.72 14.94 15.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.51 -0.743 . . . . 0.0 109.09 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 35.7 t -58.03 136.28 57.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.371 -0.83 . . . . 0.0 110.125 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -105.49 -69.48 0.82 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.625 -0.672 . . . . 0.0 109.239 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -95.63 116.19 28.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.102 -0.999 . . . . 0.0 109.376 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 150.88 87.66 Favored Pre-proline 0 N--CA 1.487 1.396 0 O-C-N 121.34 -0.85 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -66.11 151.26 84.17 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.54 2.16 . . . . 0.0 112.821 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 35' ' ' ILE . 18.9 m -67.32 -19.17 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 109.969 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' ' 45' ' ' VAL . 9.3 p -56.03 -40.25 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.0 109.438 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.47 ' N ' HG13 ' B' ' 44' ' ' VAL . 89.8 t -63.89 -44.01 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.1 -41.71 99.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.361 -0.837 . . . . 0.0 109.208 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.36 -43.85 97.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.414 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.565 HG23 HD22 ' B' ' 58' ' ' LEU . 95.1 mt -63.06 -43.22 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.366 -0.834 . . . . 0.0 109.337 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.487 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -55.8 -38.54 70.08 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.272 -0.892 . . . . 0.0 109.522 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' OE1' ' A' ' 24' ' ' GLU . 10.8 t80 -62.64 -46.9 86.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.408 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.56 -40.62 93.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.3 -0.875 . . . . 0.0 109.948 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 73.1 mtm180 -64.15 -37.98 89.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.273 -0.892 . . . . 0.0 109.276 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 94.6 p -61.27 -19.05 61.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.293 -0.879 . . . . 0.0 109.33 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -94.93 2.07 55.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.264 -0.897 . . . . 0.0 108.932 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' B' ' 57' ' ' ASP . . . 73.89 25.04 72.68 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.772 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.562 ' O ' HG12 ' B' ' 56' ' ' VAL . 54.9 t -60.77 -2.94 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.643 -1.504 . . . . 0.0 109.617 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' B' ' 55' ' ' GLY . 17.4 m-20 57.62 69.94 0.7 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.642 -0.661 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.565 HD22 HG23 ' B' ' 48' ' ' ILE . 4.4 tp -77.57 -1.26 29.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.374 -0.829 . . . . 0.0 108.893 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -63.0 -41.91 99.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.604 -0.685 . . . . 0.0 109.623 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.12 75.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 110.319 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.64 -51.26 70.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.159 -0.963 . . . . 0.0 109.899 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.88 -38.41 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.373 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.53 -22.84 56.67 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.2 -0.937 . . . . 0.0 108.558 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -86.87 -30.13 21.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.979 -1.075 . . . . 0.0 109.601 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 N--CA 1.498 1.975 0 O-C-N 120.976 -1.077 . . . . 0.0 110.169 179.779 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.706 0.765 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.97 -39.38 94.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.757 -0.59 . . . . 0.0 110.423 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -55.48 -38.2 68.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.946 . . . . 0.0 110.29 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.9 -46.4 85.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.886 -1.134 . . . . 0.0 109.52 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -70.89 -42.24 70.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.144 -0.972 . . . . 0.0 109.222 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.34 -41.33 98.87 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.144 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.17 -39.08 85.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.0 109.262 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.5 -44.53 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.913 . . . . 0.0 109.096 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -56.52 -41.8 77.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.216 -0.927 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -59.18 -44.53 92.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.046 -1.033 . . . . 0.0 108.497 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.39 -25.44 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.618 -0.676 . . . . 0.0 109.585 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -59.11 -44.58 92.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.749 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 15' ' ' SER . 96.5 mt -101.44 2.35 39.26 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 p 47.62 77.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.378 -0.826 . . . . 0.0 110.629 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.71 157.77 15.75 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -102.68 133.86 47.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.625 -0.672 . . . . 0.0 109.284 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.24 90.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 0.0 109.807 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.19 -47.04 84.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.208 -0.933 . . . . 0.0 110.204 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -61.18 -44.3 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.11 -0.994 . . . . 0.0 110.167 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -62.92 -46.51 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.041 -1.037 . . . . 0.0 109.936 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.45 91.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.943 . . . . 0.0 109.933 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -68.88 -43.39 75.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.099 -1.0 . . . . 0.0 109.94 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -67.45 -45.41 76.09 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.154 -0.966 . . . . 0.0 110.147 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.0 mtp -65.51 -39.0 91.33 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.28 -0.888 . . . . 0.0 109.755 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.68 27.48 6.71 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 pt -125.23 162.87 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.543 -0.975 . . . . 0.0 109.434 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -75.7 157.73 33.23 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 110.049 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 54.7 mtm180 -65.07 -26.71 68.36 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.492 -0.755 . . . . 0.0 109.231 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.41 -44.82 96.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 109.065 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.97 -43.6 87.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.1 -41.38 97.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.356 -0.84 . . . . 0.0 109.12 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 97.1 m -62.22 -34.16 75.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.058 . . . . 0.0 109.745 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.47 -44.7 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.962 . . . . 0.0 109.474 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.39 -35.69 73.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -96.76 38.54 1.21 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.856 . . . . 0.0 110.27 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -159.15 124.75 4.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.0 -69.26 0.73 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.248 -0.907 . . . . 0.0 110.079 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 28.5 p -37.39 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.453 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.64 153.91 41.14 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.578 -0.701 . . . . 0.0 109.139 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.06 151.66 84.36 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.765 2.31 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.39 -18.67 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.498 -0.751 . . . . 0.0 110.26 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 45' ' ' VAL . 9.9 p -55.77 -40.38 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.959 . . . . 0.0 109.281 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.464 ' N ' HG13 ' A' ' 44' ' ' VAL . 90.5 t -62.65 -46.03 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.209 -0.932 . . . . 0.0 109.084 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.28 -38.46 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.334 -0.854 . . . . 0.0 109.051 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.94 -41.65 87.92 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 109.124 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.31 -43.77 98.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.174 -0.954 . . . . 0.0 109.113 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -36.69 80.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.283 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CE2' HG22 ' B' ' 21' ' ' VAL . 46.7 t80 -60.61 -46.39 90.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.178 -0.951 . . . . 0.0 109.367 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.5 mt -62.62 -42.1 99.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 0.0 109.15 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.434 HH12 HD22 ' B' ' 59' ' ' ASN . 29.6 ttm180 -60.94 -41.98 97.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 109.386 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 t -59.0 -18.55 35.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.893 . . . . 0.0 109.325 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -93.23 2.64 56.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.309 -0.87 . . . . 0.0 108.956 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.98 9.93 61.8 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.88 133.59 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.941 -1.329 . . . . 0.0 109.149 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.84 111.21 20.55 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 110.409 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 58' ' ' LEU . 3.3 mm? -90.63 -10.91 41.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.413 -0.804 . . . . 0.0 109.191 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 7.1 p30 -63.51 -39.54 94.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.801 . . . . 0.0 109.257 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.977 . . . . 0.0 109.576 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' B' ' 6' ' ' GLU . 4.0 mm? -62.72 -44.91 94.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.363 -0.836 . . . . 0.0 109.933 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.45 -43.14 73.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 0.0 109.688 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.88 -36.68 84.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -44.54 96.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.557 -0.714 . . . . 0.0 109.2 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.0 110.081 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.48 0.657 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.56 -41.82 98.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.693 . . . . 0.0 109.718 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -58.26 -43.05 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.184 -0.948 . . . . 0.0 109.501 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ASN . . . . . 0.402 ' O ' HG23 ' B' ' 9' ' ' VAL . 33.9 t30 -62.92 -44.0 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.979 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.551 ' HG2' HD11 ' A' ' 61' ' ' LEU . 48.1 tp10 -70.4 -32.52 70.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.051 -1.031 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 51' ' ' LEU . 51.9 tp -61.22 -45.64 93.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 109.218 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.62 -37.71 88.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.534 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 5' ' ' ASN . 71.6 t -60.39 -44.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.02 -1.05 . . . . 0.0 109.846 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -61.6 -35.56 78.2 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.893 -1.13 . . . . 0.0 109.115 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -59.69 -44.59 93.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.56 -44.55 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -63.3 -36.2 82.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.336 -0.852 . . . . 0.0 109.167 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' B' ' 15' ' ' SER . 63.4 mt -79.28 -4.93 53.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.404 ' C ' ' O ' ' B' ' 14' ' ' LEU . 3.1 t 38.63 57.0 1.84 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 122.004 -0.435 . . . . 0.0 110.134 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.692 HD12 ' C ' ' B' ' 16' ' ' LEU . 3.5 pp -106.34 150.81 25.61 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.574 -0.704 . . . . 0.0 109.992 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -94.03 137.85 32.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.24 -0.913 . . . . 0.0 110.42 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.21 83.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.612 -0.68 . . . . 0.0 109.864 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.06 -44.33 97.55 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.126 -0.984 . . . . 0.0 109.83 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -62.14 -44.37 96.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.462 HG22 ' CE2' ' A' ' 50' ' ' PHE . 77.4 t -64.32 -44.41 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.779 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.78 82.68 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.42 -45.86 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.006 -1.059 . . . . 0.0 110.598 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.85 -46.64 77.73 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.142 -0.974 . . . . 0.0 110.341 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.461 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 93.8 mtp -66.06 -38.88 89.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.354 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.44 32.37 6.37 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -126.35 163.27 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.517 -0.99 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -79.81 158.6 26.77 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.793 0.806 . . . . 0.0 110.245 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.8 mtm-85 -62.0 -35.83 79.71 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.516 -0.74 . . . . 0.0 109.267 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.87 -40.72 94.01 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.679 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.89 -45.88 90.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.081 -1.012 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.06 -40.45 96.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.483 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.94 -36.06 76.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.299 -0.876 . . . . 0.0 109.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -62.31 -40.39 96.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.827 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.13 -43.55 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.507 -0.746 . . . . 0.0 109.757 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.38 -36.4 80.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.5 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.61 0.28 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.136 -0.977 . . . . 0.0 109.392 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -71.63 139.47 49.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.576 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -104.37 -48.27 3.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.347 -0.845 . . . . 0.0 108.798 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -105.89 162.53 13.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.98 142.71 25.17 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.332 -0.855 . . . . 0.0 109.128 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -66.16 160.35 45.28 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.116 1.877 . . . . 0.0 112.395 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.419 ' H ' HG22 ' B' ' 43' ' ' VAL . 12.8 m -63.16 -31.23 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.403 -0.811 . . . . 0.0 110.814 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 45' ' ' VAL . 14.6 p -46.47 -37.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.504 ' N ' HG13 ' B' ' 44' ' ' VAL . 79.7 t -65.07 -44.02 95.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.62 -33.0 74.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -57.8 -46.14 85.08 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.01 91.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.254 -0.904 . . . . 0.0 110.312 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.0 -48.01 82.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.053 -1.029 . . . . 0.0 109.64 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.9 -41.33 99.4 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.097 -1.002 . . . . 0.0 109.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 52' ' ' ARG . 26.8 mtp85 -62.69 -36.1 81.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.667 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 55.8 p -58.92 -19.2 40.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.246 -0.909 . . . . 0.0 108.712 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -97.09 -1.15 45.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.351 -0.843 . . . . 0.0 109.119 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLY . . . . . 0.475 ' O ' ' OD2' ' B' ' 57' ' ' ASP . . . 84.08 23.95 50.16 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.296 -0.954 . . . . 0.0 110.9 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.38 -45.57 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.903 -1.351 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 55' ' ' GLY . 1.1 m-20 65.38 61.74 0.7 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.339 -0.851 . . . . 0.0 109.684 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.588 ' H ' HD23 ' B' ' 58' ' ' LEU . 0.3 OUTLIER -88.52 -2.43 58.59 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.073 -1.017 . . . . 0.0 108.906 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -56.23 -50.75 70.4 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.357 -0.84 . . . . 0.0 108.923 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.89 -21.97 50.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.171 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.99 -53.58 55.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.029 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -85.26 -23.63 28.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.813 -1.179 . . . . 0.0 110.318 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.1 -34.7 57.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.762 -1.211 . . . . 0.0 109.032 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -59.15 -33.4 70.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.023 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.266 -0.896 . . . . 0.0 109.952 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.442 0.639 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -60.72 -46.32 90.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.258 -0.901 . . . . 0.0 109.196 -178.455 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.7 t -63.5 -42.0 98.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.131 -0.981 . . . . 0.0 109.313 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.436 ' O ' HG23 ' A' ' 9' ' ' VAL . 17.9 t-20 -62.26 -40.62 96.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.28 -50.88 71.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.046 . . . . 0.0 110.361 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.7 mp -63.14 -41.54 99.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.969 -1.082 . . . . 0.0 109.245 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.29 -42.15 99.1 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.64 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 5' ' ' ASN . 50.9 t -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.93 . . . . 0.0 110.201 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.14 -38.64 91.97 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 109.355 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' NH1' ' CD ' ' A' ' 36' ' ' GLU . 49.8 ttt180 -59.17 -42.45 90.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.576 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.79 -42.51 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.712 -0.618 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -54.66 -44.3 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.015 -1.053 . . . . 0.0 110.017 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.34 -4.23 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.006 -1.059 . . . . 0.0 108.575 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t 50.54 75.94 0.16 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 110.717 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.92 137.01 49.08 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.0 p -86.58 158.75 19.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.471 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.64 81.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.0 109.277 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.02 -45.94 89.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.452 -0.78 . . . . 0.0 110.128 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.4 m -60.45 -45.97 91.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.953 -1.092 . . . . 0.0 109.658 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.05 -44.82 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.597 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.84 92.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.4 -41.28 89.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.865 . . . . 0.0 108.967 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.96 -52.83 17.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -0.923 . . . . 0.0 109.297 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.3 mtp -65.84 -39.4 90.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.404 -0.81 . . . . 0.0 109.572 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.26 40.36 6.98 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 pt -127.04 164.79 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.439 -1.036 . . . . 0.0 109.979 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 154.69 40.95 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.222 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -64.56 -37.31 87.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.455 -0.778 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.46 -41.88 95.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 109.549 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.44 -40.96 98.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 0.0 109.081 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.31 -39.91 95.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.281 -0.887 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.0 m -57.0 -42.51 80.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.104 -0.998 . . . . 0.0 109.202 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -64.61 -41.69 96.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.268 -0.895 . . . . 0.0 109.408 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.21 -43.39 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.701 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' CD ' ' NH1' ' A' ' 11' ' ' ARG . 27.0 mt-10 -54.85 -46.03 74.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.195 -0.94 . . . . 0.0 109.592 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' SER . 15.8 pt20 -93.7 21.31 6.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 108.969 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 p -41.93 103.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.561 -0.712 . . . . 0.0 109.782 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.18 -81.45 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.504 -0.747 . . . . 0.0 109.716 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.2 t -103.04 161.08 14.06 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.356 -0.84 . . . . 0.0 109.789 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . . . -87.27 149.33 46.86 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.121 -0.987 . . . . 0.0 109.4 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.87 165.22 31.84 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.556 2.171 . . . . 0.0 112.17 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 m -59.49 -28.51 40.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.413 -0.804 . . . . 0.0 109.809 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.34 -46.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.053 -1.03 . . . . 0.0 109.952 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.2 -43.68 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.08 -1.013 . . . . 0.0 109.631 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' NZ ' ' O ' ' A' ' 41' ' ' ALA . 63.3 mttp -60.7 -42.41 97.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -61.9 -42.78 99.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.195 -0.941 . . . . 0.0 109.315 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.432 ' CG2' HD22 ' A' ' 58' ' ' LEU . 93.3 mt -62.37 -43.84 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 0.0 109.2 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -35.19 76.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.203 -0.936 . . . . 0.0 108.911 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -60.38 -46.39 90.12 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.0 -40.98 99.39 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -62.34 -37.06 84.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.0 109.504 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -61.73 -19.13 62.09 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.186 -0.946 . . . . 0.0 109.159 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -95.27 0.38 53.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.191 -0.943 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.29 27.73 47.42 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 120.026 -1.083 . . . . 0.0 110.835 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.01 -22.04 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.805 -1.409 . . . . 0.0 109.161 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 63.7 68.91 0.57 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.523 0.677 . . . . 0.0 109.889 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.507 HD21 ' CE1' ' A' ' 62' ' ' PHE . 5.4 tp -62.92 -38.34 90.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.613 -0.679 . . . . 0.0 109.782 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' LEU . 46.0 m-80 -34.35 -54.13 0.51 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.254 0.549 . . . . 0.0 110.834 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.96 80.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' LEU . 5.6 tt -60.65 -48.51 81.45 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.019 -1.051 . . . . 0.0 110.315 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 58' ' ' LEU . 3.4 m-30 -73.84 -39.99 63.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.943 -1.098 . . . . 0.0 109.635 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.1 -18.01 59.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -18.56 61.99 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 N--CA 1.499 1.988 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.818 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.374 0.607 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.428 HD23 ' OE1' ' B' ' 6' ' ' GLU . 12.3 mt -63.77 -37.89 89.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.369 -0.832 . . . . 0.0 109.825 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.4 t -56.97 -45.27 83.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.025 -1.047 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -65.66 -39.36 91.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.101 -0.999 . . . . 0.0 109.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.428 ' OE1' HD23 ' B' ' 3' ' ' LEU . 74.0 mt-10 -57.44 -51.88 67.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.083 -1.011 . . . . 0.0 110.68 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.432 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.5 mp -63.03 -40.25 97.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.027 -1.046 . . . . 0.0 109.208 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.21 -43.8 92.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 109.71 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.09 -44.55 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.224 -0.923 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -65.14 -42.59 93.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.044 -1.035 . . . . 0.0 110.308 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' B' ' 15' ' ' SER . 54.8 ttp180 -60.5 -46.55 89.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.96 -43.15 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.703 -0.623 . . . . 0.0 109.895 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -57.76 -45.02 86.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.207 -0.933 . . . . 0.0 109.244 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 83.3 mt -92.84 -0.95 57.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.191 -0.943 . . . . 0.0 108.506 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.426 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 40.8 81.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.844 -0.535 . . . . 0.0 110.992 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.74 140.42 35.04 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.286 -0.884 . . . . 0.0 109.029 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -87.76 134.26 33.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.399 -0.813 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.39 83.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.472 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.56 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 68.1 mttm -62.92 -46.82 86.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.97 -1.081 . . . . 0.0 109.971 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.5 t -65.09 -46.31 81.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.114 -0.991 . . . . 0.0 109.832 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.32 -46.06 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.831 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.73 93.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 110.283 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.42 -45.52 83.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -69.8 -42.61 73.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.315 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 73.3 mmm -65.8 -39.68 91.18 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.506 -0.746 . . . . 0.0 109.459 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.65 9.07 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.12 168.06 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 O-C-N 121.344 -1.092 . . . . 0.0 110.238 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -70.93 154.01 42.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.56 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 76.8 mtm180 -65.02 -37.02 86.27 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 108.912 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.31 -42.15 98.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.959 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.18 -43.03 96.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.03 -43.21 99.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 109.126 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -31.24 72.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.187 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -62.36 -42.37 99.35 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.073 -1.017 . . . . 0.0 110.379 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' B' ' 40' ' ' THR . 95.4 mt -61.29 -70.01 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.467 -0.771 . . . . 0.0 111.968 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -52.77 -28.7 23.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.398 -0.813 . . . . 0.0 110.983 -177.684 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -96.77 -1.88 45.43 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.714 -1.241 . . . . 0.0 110.821 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 177.88 155.06 0.34 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.873 -1.142 . . . . 0.0 109.539 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 49.08 94.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.828 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' ILE . 53.0 p -132.6 -12.4 3.03 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.374 -0.828 . . . . 0.0 109.445 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.59 81.2 64.84 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.459 -0.775 . . . . 0.0 109.781 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.24 -179.63 5.62 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.328 2.019 . . . . 0.0 112.289 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.33 -33.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.336 -0.853 . . . . 0.0 109.946 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.84 -46.54 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.045 . . . . 0.0 109.846 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.99 -42.03 93.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.0 109.539 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.23 -40.13 80.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.077 -1.014 . . . . 0.0 109.164 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -61.12 -48.55 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.181 -0.95 . . . . 0.0 109.613 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.618 HG22 HD22 ' B' ' 58' ' ' LEU . 50.2 mt -63.9 -45.87 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.95 -1.094 . . . . 0.0 108.937 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.2 75.02 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.222 -0.924 . . . . 0.0 109.321 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -57.34 -44.56 84.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.63 -39.43 93.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' H ' ' B' ' 57' ' ' ASP . 48.7 ttp180 -60.09 -40.2 88.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.281 -0.887 . . . . 0.0 110.173 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -61.36 -16.35 45.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.142 -0.974 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -93.26 1.25 57.11 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.233 -0.917 . . . . 0.0 110.094 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.52 1.53 57.75 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.67 -41.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.999 -1.295 . . . . 0.0 109.406 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.467 ' H ' ' HA ' ' B' ' 52' ' ' ARG . 83.8 m-20 60.68 87.2 0.09 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.657 0.742 . . . . 0.0 110.328 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.618 HD22 HG22 ' B' ' 48' ' ' ILE . 2.9 pp -69.38 -37.26 77.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.63 -0.669 . . . . 0.0 110.37 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' B' ' 58' ' ' LEU . 12.8 p-10 -41.57 -53.48 3.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.202 -0.936 . . . . 0.0 110.749 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.81 85.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.132 -0.98 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.581 ' O ' HD23 ' B' ' 61' ' ' LEU . 3.0 tt -60.0 -47.07 87.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.218 -0.926 . . . . 0.0 108.644 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' B' ' 65' ' ' ILE . 2.3 m-85 -70.07 -32.54 70.68 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.144 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -49.11 -34.57 14.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.34 -41.16 84.04 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' B' ' 62' ' ' PHE . 60.8 mt . . . . . 0 N--CA 1.497 1.894 0 O-C-N 121.451 -0.781 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.476 0.655 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.45 -45.1 94.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.446 -0.784 . . . . 0.0 110.365 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 m -60.44 -36.75 78.96 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.226 -0.921 . . . . 0.0 109.698 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.674 ' O ' HG23 ' A' ' 9' ' ' VAL . 56.5 t30 -61.8 -45.5 93.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.344 -0.847 . . . . 0.0 109.862 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -70.87 -42.05 70.59 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.157 -0.964 . . . . 0.0 109.678 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.41 -45.0 95.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.838 . . . . 0.0 110.436 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' NZ ' ' OD1' ' A' ' 5' ' ' ASN . 9.5 pttm -65.4 -34.15 77.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.0 109.386 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 5' ' ' ASN . 38.8 t -58.52 -46.25 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.408 -0.807 . . . . 0.0 109.326 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.55 -45.6 86.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.86 -1.15 . . . . 0.0 109.574 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -59.59 -44.85 93.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 109.571 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.96 -43.34 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.463 -0.773 . . . . 0.0 109.484 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -58.41 -44.71 89.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 109.7 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.7 mt -89.66 -1.49 58.03 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.246 -0.908 . . . . 0.0 109.147 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.2 p 41.55 73.71 0.12 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.646 -0.659 . . . . 0.0 109.65 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -98.9 136.15 39.31 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.327 -0.858 . . . . 0.0 109.822 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -89.03 134.79 33.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.501 -0.75 . . . . 0.0 109.721 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.28 83.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.43 -0.794 . . . . 0.0 109.68 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -62.75 -46.27 88.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.817 . . . . 0.0 109.771 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -60.59 -44.83 95.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.718 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.61 -43.55 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.329 -0.857 . . . . 0.0 109.437 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.47 86.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 110.273 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.29 -38.33 89.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.488 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.5 -51.0 26.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.275 -0.89 . . . . 0.0 109.863 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.68 -39.12 93.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.413 -0.804 . . . . 0.0 109.599 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.2 30.36 7.06 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -126.63 167.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.449 -1.03 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 p -75.12 154.47 37.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 110.356 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -65.52 -39.0 91.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 109.266 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -57.0 -42.11 79.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.01 -40.24 97.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.22 -0.925 . . . . 0.0 109.253 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.96 -42.12 98.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.404 -0.81 . . . . 0.0 109.497 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 99.0 m -60.94 -36.28 78.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.359 -0.838 . . . . 0.0 109.412 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -64.16 -37.0 85.89 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.18 -44.61 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.966 . . . . 0.0 110.096 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.13 -32.7 72.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 108.955 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -82.57 20.23 1.15 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.358 -0.839 . . . . 0.0 109.301 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 40' ' ' THR . 73.7 m -73.02 -7.14 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.261 -0.9 . . . . 0.0 109.099 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 47.94 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.695 -0.628 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 38' ' ' SER . 13.1 t -98.22 136.53 38.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.121 -0.987 . . . . 0.0 109.429 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 152.15 94.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.918 . . . . 0.0 109.979 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.81 160.49 47.77 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.759 2.306 . . . . 0.0 112.754 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 43' ' ' VAL . 5.7 m -59.8 -20.55 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.377 -0.827 . . . . 0.0 109.136 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.11 -45.52 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.344 -0.847 . . . . 0.0 108.982 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.319 -0.863 . . . . 0.0 108.977 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.75 -39.21 93.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.37 -0.831 . . . . 0.0 109.258 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -60.0 -41.21 91.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.219 -0.926 . . . . 0.0 109.168 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.14 -43.15 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.352 -0.842 . . . . 0.0 109.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.42 -34.77 71.16 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.188 -0.945 . . . . 0.0 109.158 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.39 -48.37 81.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.11 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' CD1' HD11 ' B' ' 7' ' ' LEU . 98.7 mt -63.69 -41.37 98.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.343 -0.848 . . . . 0.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -43.39 93.23 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 m -60.52 -33.42 72.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.552 -0.717 . . . . 0.0 109.381 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -74.49 3.97 6.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.345 -0.847 . . . . 0.0 109.047 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.77 17.18 79.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.7 t -65.44 134.04 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.251 . . . . 0.0 109.437 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.6 64.37 0.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 109.934 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' VAL . 6.1 tp -66.11 -32.76 74.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.666 -0.646 . . . . 0.0 109.266 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.27 -42.77 82.22 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.34 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.26 -46.51 90.08 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.091 -1.006 . . . . 0.0 109.65 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.0 -40.05 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.416 -0.802 . . . . 0.0 110.159 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.21 -47.02 54.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.339 -0.851 . . . . 0.0 110.023 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -68.38 -37.81 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.849 -1.157 . . . . 0.0 109.747 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 0.0 109.407 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.383 0.611 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.12 -42.82 96.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.413 -0.804 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.4 t -60.9 -40.69 94.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.327 -0.858 . . . . 0.0 109.858 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ASN . . . . . 0.449 ' O ' HG23 ' B' ' 9' ' ' VAL . 61.1 t-20 -61.11 -47.29 86.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.222 -0.924 . . . . 0.0 110.034 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 33.1 mm-40 -69.86 -42.07 74.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 51' ' ' LEU . 47.1 tp -62.97 -42.38 99.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.487 -0.758 . . . . 0.0 109.547 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.482 ' NZ ' HH21 ' B' ' 11' ' ' ARG . 63.7 tttp -62.87 -37.97 89.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 109.828 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 5' ' ' ASN . 54.4 t -60.93 -46.65 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 3.5 mp0 -67.76 -39.21 84.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.25 -0.906 . . . . 0.0 109.647 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.482 HH21 ' NZ ' ' B' ' 8' ' ' LYS . 3.5 tmm_? -57.0 -45.03 83.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.178 -0.951 . . . . 0.0 108.69 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.15 -46.33 90.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.249 -0.907 . . . . 0.0 109.761 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 14' ' ' LEU . 3.4 mm? -80.84 -2.72 48.5 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.993 -1.067 . . . . 0.0 108.636 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.429 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.2 m 36.8 57.56 1.15 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.237 0.541 . . . . 0.0 109.72 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.52 147.16 33.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.256 -0.902 . . . . 0.0 110.041 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p -97.62 139.9 32.83 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 110.01 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.59 88.13 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 0.0 110.1 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -62.44 -47.49 83.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.3 -0.875 . . . . 0.0 109.871 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -62.03 -44.09 97.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 109.643 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.02 -43.53 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.393 -0.817 . . . . 0.0 109.449 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.51 92.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 110.352 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -65.93 -40.32 91.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.923 -1.111 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.06 -56.35 10.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.21 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 83.6 mtp -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.408 -0.807 . . . . 0.0 109.404 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.26 36.76 6.48 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -126.28 167.36 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.46 -1.024 . . . . 0.0 110.158 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -73.39 161.94 29.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.404 -0.81 . . . . 0.0 110.296 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -65.02 -39.91 94.07 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -65.04 -38.02 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -62.28 -38.87 90.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 0.0 109.002 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.35 -42.24 99.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.302 -0.874 . . . . 0.0 109.402 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.1 m -60.66 -37.1 80.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -64.56 -36.73 85.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.348 -0.845 . . . . 0.0 109.535 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.01 -43.03 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 108.957 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' B' ' 38' ' ' SER . 68.0 mt-10 -64.98 -36.31 83.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.543 -0.723 . . . . 0.0 109.251 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.27 36.75 0.1 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.479 ' H ' ' C ' ' B' ' 36' ' ' GLU . 47.8 t -70.14 100.24 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 40' ' ' THR . 65.5 mm-40 -67.38 99.86 0.77 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.195 -0.94 . . . . 0.0 108.79 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' O ' ' B' ' 39' ' ' GLU . 88.0 m 59.68 143.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.34 0.59 . . . . 0.0 109.467 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.4 142.68 89.62 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.307 -0.871 . . . . 0.0 110.381 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.14 161.37 43.36 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.638 2.226 . . . . 0.0 112.952 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.44 -20.39 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.823 . . . . 0.0 109.517 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.39 -45.59 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -43.03 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -60.37 -37.69 81.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.85 -43.17 90.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.959 . . . . 0.0 108.952 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.78 -42.46 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.6 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.437 -0.789 . . . . 0.0 109.065 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -62.17 -48.15 81.34 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.437 HD22 ' N ' ' B' ' 51' ' ' LEU . 3.8 mm? -65.09 -42.54 93.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.427 -0.796 . . . . 0.0 109.16 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -66.11 -38.79 89.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.401 -0.812 . . . . 0.0 109.331 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -55.33 -33.86 63.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 0.0 109.83 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -83.44 2.66 35.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.106 -0.997 . . . . 0.0 109.452 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.48 26.79 69.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' B' ' 58' ' ' LEU . 54.4 t -68.19 135.09 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.302 . . . . 0.0 109.479 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -47.52 83.7 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.723 -0.611 . . . . 0.0 110.365 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' B' ' 56' ' ' VAL . 57.3 tp -91.73 -42.65 10.02 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.338 -0.851 . . . . 0.0 109.699 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -54.54 28.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 109.645 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.16 95.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.065 -1.022 . . . . 0.0 109.475 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tp -41.57 -57.9 2.1 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.691 -0.631 . . . . 0.0 110.268 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.69 -44.49 93.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.324 -0.86 . . . . 0.0 109.532 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -44.6 -33.74 1.9 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.503 -0.748 . . . . 0.0 109.927 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -65.09 -42.49 94.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.264 -0.897 . . . . 0.0 109.153 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 0.0 110.27 -179.669 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 4.1 pm0 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.587 0.708 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.53 -38.81 92.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.489 -0.757 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.0 t -57.36 -45.71 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.962 -1.086 . . . . 0.0 109.875 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.03 -40.14 94.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -0.979 . . . . 0.0 109.102 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.51 -39.88 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.302 -0.873 . . . . 0.0 109.186 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.84 -39.9 95.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.377 -0.827 . . . . 0.0 109.089 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -42.73 98.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.551 -0.718 . . . . 0.0 110.045 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.84 -44.98 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.113 -0.992 . . . . 0.0 110.056 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -62.55 -32.36 73.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.106 -0.996 . . . . 0.0 109.482 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -73.58 -41.01 63.46 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.05 -1.031 . . . . 0.0 109.832 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.61 -50.48 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.328 -0.858 . . . . 0.0 111.049 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -36.11 82.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.123 -0.986 . . . . 0.0 109.317 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.75 -5.1 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 108.734 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t 42.36 71.7 0.21 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.58 -0.7 . . . . 0.0 109.926 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.3 mt -107.77 128.18 54.35 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.748 . . . . 0.0 109.593 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p -87.4 158.35 19.02 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 110.271 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.22 78.34 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.55 -0.719 . . . . 0.0 109.5 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 8.6 mtmp? -65.91 -43.49 88.02 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.43 -0.793 . . . . 0.0 110.327 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -61.69 -44.48 96.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -0.888 . . . . 0.0 110.224 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.52 -44.71 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.98 . . . . 0.0 109.377 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.14 84.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.752 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.77 -54.23 47.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.258 -0.902 . . . . 0.0 108.987 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.14 -44.03 73.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.251 -0.905 . . . . 0.0 109.842 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.73 -39.65 94.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 0.0 109.146 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.31 32.4 22.83 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 pt -123.29 168.53 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.559 -0.965 . . . . 0.0 109.976 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 m -71.57 152.65 42.76 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.858 0.837 . . . . 0.0 110.166 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HE ' ' HG2' ' A' ' 19' ' ' LYS . 72.1 mtt85 -64.79 -37.15 86.63 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.317 -0.864 . . . . 0.0 109.28 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.69 -45.27 94.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 108.893 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.84 -42.81 99.5 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.453 0.644 . . . . 0.0 109.408 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.11 -31.58 72.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.267 -0.896 . . . . 0.0 109.161 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -61.35 -45.95 92.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 109.618 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.71 -43.67 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.123 -0.985 . . . . 0.0 109.725 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -67.31 -36.82 82.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.384 -0.823 . . . . 0.0 109.994 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -78.44 12.54 1.92 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.917 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -97.24 119.82 36.45 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -92.25 -11.06 36.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.285 -0.885 . . . . 0.0 109.75 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -124.36 131.76 53.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.622 -0.674 . . . . 0.0 109.33 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.17 146.93 68.29 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.405 -0.81 . . . . 0.0 109.84 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.46 158.46 51.15 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.661 2.241 . . . . 0.0 112.917 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 44' ' ' VAL . 12.6 p -67.25 -37.25 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.444 -0.785 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 2.8 m -46.39 -42.4 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.27 -0.894 . . . . 0.0 109.465 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 53.1 t -65.52 -43.81 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 108.849 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.78 -38.25 87.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 0.0 109.119 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.531 ' OH ' ' NH2' ' B' ' 11' ' ' ARG . 23.1 t80 -60.35 -41.59 93.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.399 -0.813 . . . . 0.0 109.419 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.16 -43.45 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 0.0 108.844 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.86 77.16 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.38 -0.825 . . . . 0.0 109.358 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -60.39 -48.42 81.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.178 -0.951 . . . . 0.0 109.401 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' B' ' 7' ' ' LEU . 91.7 mt -65.1 -42.18 94.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.202 -0.936 . . . . 0.0 109.505 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.9 -34.58 78.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.36 -0.837 . . . . 0.0 108.965 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -59.01 -21.59 59.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -93.0 1.07 57.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.0 108.87 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.14 24.75 54.05 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.41 134.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.271 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.77 53.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.62 -0.675 . . . . 0.0 109.754 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.69 -10.7 59.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.313 -0.867 . . . . 0.0 108.778 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.7 -31.69 73.02 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.513 -0.742 . . . . 0.0 109.183 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.35 88.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.995 -1.065 . . . . 0.0 109.457 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.9 -39.7 93.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.0 108.843 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.28 -50.24 48.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -50.72 -40.81 55.2 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HD2' HH11 ' A' ' 64' ' ' ARG . 24.2 ttm180 -61.03 -49.79 75.97 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.601 -0.687 . . . . 0.0 109.396 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.162 -0.961 . . . . 0.0 110.839 -178.623 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 56.3 mt-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.23 -44.09 97.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.681 -0.637 . . . . 0.0 109.305 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t -66.18 -26.78 67.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.799 . . . . 0.0 109.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.73 -46.23 89.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.84 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 3.2 mp0 -70.09 -36.37 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.154 -0.966 . . . . 0.0 109.262 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 51' ' ' LEU . 36.8 tp -62.69 -42.11 99.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 108.939 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.37 -40.85 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.37 -44.45 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 109.528 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -55.34 -44.66 76.11 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.168 -0.958 . . . . 0.0 109.803 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' A' ' 47' ' ' TYR . 32.5 ttm105 -58.61 -44.94 90.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 109.303 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.5 -42.59 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.4 -0.812 . . . . 0.0 109.447 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -44.37 84.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 109.358 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 15' ' ' SER . 92.7 mt -93.73 -3.14 52.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 11' ' ' ARG . 2.9 t 41.13 78.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.352 0.596 . . . . 0.0 110.096 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.95 133.14 52.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.465 -0.772 . . . . 0.0 109.647 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.418 ' HG1' ' HB2' ' B' ' 20' ' ' SER . 82.1 p -84.8 159.54 20.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.528 -0.733 . . . . 0.0 110.159 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.98 78.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.567 -0.708 . . . . 0.0 109.497 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' B' ' 20' ' ' SER . 19.2 pttp -67.64 -43.43 80.34 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.286 -0.883 . . . . 0.0 109.947 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' B' ' 19' ' ' LYS . 68.9 m -64.83 -47.07 79.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.856 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.6 -44.11 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 110.026 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.75 98.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.434 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OE2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -66.32 -46.2 77.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.126 -0.984 . . . . 0.0 109.754 -179.444 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.439 ' OE2' ' OE1' ' B' ' 23' ' ' GLU . 75.5 mm-40 -69.8 -39.5 76.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 109.293 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -64.2 -38.28 90.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -0.849 . . . . 0.0 109.346 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.21 24.02 15.63 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.23 164.93 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.499 -1.001 . . . . 0.0 109.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.4 p -75.46 161.28 29.34 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.83 0.824 . . . . 0.0 110.538 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.13 -38.54 90.97 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.176 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.87 -38.44 90.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.374 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.69 -41.33 97.42 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 109.114 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.32 -43.09 98.79 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.0 109.602 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.66 -34.79 74.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.0 109.51 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -62.73 -39.91 95.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 109.09 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.62 -43.82 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.495 ' OE1' ' NH1' ' B' ' 11' ' ' ARG . 1.8 mt-10 -70.06 -18.49 63.28 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.96 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -85.23 -2.44 58.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 108.994 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -72.09 144.65 48.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -80.64 -80.33 0.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -99.87 172.77 7.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.404 -0.81 . . . . 0.0 109.864 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.19 149.13 40.79 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.788 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.9 154.1 71.53 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.576 2.184 . . . . 0.0 112.973 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.436 ' H ' HG22 ' B' ' 43' ' ' VAL . 4.3 m -65.69 -29.79 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.573 -0.704 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.445 HG13 ' N ' ' B' ' 45' ' ' VAL . 8.8 p -44.98 -35.92 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.318 -0.864 . . . . 0.0 109.353 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.445 ' N ' HG13 ' B' ' 44' ' ' VAL . 71.9 t -66.41 -43.17 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.479 -0.763 . . . . 0.0 109.09 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.75 -40.82 96.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -0.866 . . . . 0.0 109.646 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.96 -44.4 97.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.15 -0.969 . . . . 0.0 109.763 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.422 ' CG2' HD21 ' B' ' 58' ' ' LEU . 95.8 mt -62.36 -42.97 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.128 -0.982 . . . . 0.0 108.721 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.678 ' HB1' HH21 ' B' ' 52' ' ' ARG . . . -60.9 -35.48 76.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 0.0 109.341 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.74 -46.63 89.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.312 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.77 -41.87 99.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.942 -1.099 . . . . 0.0 109.141 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.678 HH21 ' HB1' ' B' ' 49' ' ' ALA . 2.0 tmm_? -62.69 -40.32 96.76 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.383 -0.823 . . . . 0.0 109.837 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 29.5 m -58.34 -22.58 53.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.067 -1.02 . . . . 0.0 109.508 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -86.01 3.36 42.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 108.958 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.66 19.57 67.98 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' B' ' 58' ' ' LEU . 47.4 t -60.89 146.66 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -1.158 . . . . 0.0 110.183 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.01 37.87 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.686 -0.634 . . . . 0.0 109.802 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' B' ' 56' ' ' VAL . 11.5 tp -63.15 -39.77 95.64 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.381 -0.824 . . . . 0.0 109.273 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.21 -42.05 94.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.149 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.46 83.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.421 -0.8 . . . . 0.0 110.365 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.17 -42.78 95.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.167 -0.958 . . . . 0.0 109.897 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -64.63 -43.6 93.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.908 -1.12 . . . . 0.0 109.669 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -49.83 -39.46 38.79 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.943 -1.098 . . . . 0.0 109.237 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' B' ' 64' ' ' ARG . 13.1 mtp180 -65.94 -48.4 71.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.164 -0.96 . . . . 0.0 109.009 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.497 1.879 0 O-C-N 121.618 -0.676 . . . . 0.0 110.684 -179.277 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.68 -44.81 95.3 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -71.67 -20.4 61.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.77 . . . . 0.0 109.933 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 9' ' ' VAL . 28.0 t30 -62.62 -50.72 70.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.144 -0.973 . . . . 0.0 109.803 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.58 -32.2 65.83 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.372 -0.83 . . . . 0.0 108.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.599 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.2 tt -58.49 -47.41 84.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.534 -0.728 . . . . 0.0 109.254 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 56.8 mtpt -63.6 -40.76 97.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 108.862 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.548 ' CG1' ' HE ' ' A' ' 13' ' ' ARG . 83.2 t -61.41 -45.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.649 -0.657 . . . . 0.0 109.901 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.53 -42.37 87.61 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.853 -1.154 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.506 HH11 ' CD ' ' A' ' 36' ' ' GLU . 64.5 ttt180 -60.7 -43.39 97.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.937 . . . . 0.0 109.127 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.01 -44.23 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.762 -0.586 . . . . 0.0 110.055 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.548 ' HE ' ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -62.38 -42.93 99.8 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.09 -1.006 . . . . 0.0 108.875 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.2 mt -87.53 -5.61 58.71 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ARG . 60.5 p 38.81 66.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.32 0.581 . . . . 0.0 109.878 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.9 154.31 29.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.466 -0.771 . . . . 0.0 109.939 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 p -79.04 130.88 35.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.551 -0.718 . . . . 0.0 110.135 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.26 82.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.571 -0.706 . . . . 0.0 109.846 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.01 -45.08 95.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.0 109.856 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -60.05 -45.94 91.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.149 -0.969 . . . . 0.0 109.607 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.09 -47.6 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.321 -0.862 . . . . 0.0 110.339 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.28 86.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.289 -0.882 . . . . 0.0 111.072 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.04 -48.0 69.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.941 -1.1 . . . . 0.0 110.346 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.95 -37.57 75.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.166 -0.959 . . . . 0.0 109.9 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 55.5 mmm -62.82 -38.19 89.77 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.402 -0.811 . . . . 0.0 109.421 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.27 26.32 16.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.1 pt -125.84 161.79 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.657 -0.908 . . . . 0.0 109.54 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 t -76.8 159.61 29.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.453 -0.779 . . . . 0.0 110.333 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -62.34 -34.14 76.07 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.447 -0.783 . . . . 0.0 109.274 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.41 -44.79 76.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.21 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' NE2' HG11 ' B' ' 43' ' ' VAL . 58.5 tt0 -66.89 -37.31 84.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.875 . . . . 0.0 108.976 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.07 -42.43 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.785 . . . . 0.0 109.315 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.53 -35.81 80.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 108.957 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.85 -36.91 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.104 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.54 -43.46 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.144 -0.972 . . . . 0.0 108.695 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' CD ' HH11 ' A' ' 11' ' ' ARG . 28.7 mm-40 -56.56 -34.11 66.78 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 38' ' ' SER . 55.9 tp60 -80.12 39.53 0.45 Allowed 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 37' ' ' GLN . 9.6 p -36.99 144.33 0.07 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.561 0.696 . . . . 0.0 111.029 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 40' ' ' THR . 82.9 tt0 -140.36 86.03 2.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.625 -0.672 . . . . 0.0 109.273 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 39' ' ' GLU . 5.5 m 59.93 131.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.51 0.672 . . . . 0.0 109.76 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 151.02 93.3 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.214 -0.929 . . . . 0.0 109.704 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.07 149.81 59.17 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.357 2.038 . . . . 0.0 112.55 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 43' ' ' VAL . 4.3 m -69.19 -17.24 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.576 -0.703 . . . . 0.0 110.202 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 45' ' ' VAL . 3.3 m -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.153 -0.967 . . . . 0.0 109.2 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' N ' HG23 ' A' ' 44' ' ' VAL . 73.0 t -62.44 -43.72 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.826 . . . . 0.0 109.054 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.27 -40.57 94.61 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.503 -0.748 . . . . 0.0 109.142 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -60.63 -40.89 93.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.4 -44.08 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 0.0 109.295 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.35 83.35 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.072 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' B' ' 21' ' ' VAL . 37.5 t80 -60.39 -45.65 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.441 -0.787 . . . . 0.0 109.841 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.437 HD11 HD11 ' B' ' 7' ' ' LEU . 94.7 mt -62.3 -42.5 99.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.895 . . . . 0.0 109.319 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -64.8 -19.91 66.09 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 p -62.95 -36.08 82.27 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.249 -0.907 . . . . 0.0 108.695 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.08 -6.24 42.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.332 -0.855 . . . . 0.0 109.648 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 47.04 5.53 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.035 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.14 -20.51 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.25 . . . . 0.0 109.068 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 76.97 69.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.526 0.679 . . . . 0.0 109.757 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.559 ' H ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 pt? -79.13 -6.06 55.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.53 -0.731 . . . . 0.0 109.224 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -60.99 -45.34 95.21 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.399 -0.813 . . . . 0.0 109.652 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.57 -37.31 79.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.387 -0.821 . . . . 0.0 109.821 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.51 -47.76 84.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.146 -0.971 . . . . 0.0 109.642 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -70.97 -35.43 72.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.925 . . . . 0.0 109.798 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -54.84 -45.71 74.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.209 -0.932 . . . . 0.0 110.394 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.43 -43.81 96.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.87 -1.144 . . . . 0.0 109.278 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.376 -0.828 . . . . 0.0 109.912 -179.792 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.422 0.63 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.04 -49.05 77.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.448 -0.782 . . . . 0.0 110.118 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -67.18 -42.57 84.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.569 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -64.1 -45.92 86.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.512 -0.743 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.421 ' O ' ' OE2' ' B' ' 10' ' ' GLU . 19.4 tt0 -66.95 -33.29 75.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.094 -1.004 . . . . 0.0 109.171 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.437 HD11 HD11 ' A' ' 51' ' ' LEU . 59.4 tp -61.16 -44.36 97.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.468 -0.77 . . . . 0.0 109.273 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.86 -36.49 83.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 108.998 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.82 -45.21 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.59 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' B' ' 6' ' ' GLU . 1.1 mp0 -58.25 -40.5 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.967 -1.083 . . . . 0.0 109.196 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' SER . 25.4 ttp180 -58.53 -45.47 88.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.239 -0.913 . . . . 0.0 109.031 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.38 -42.83 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.847 -0.533 . . . . 0.0 109.896 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -58.87 -44.26 91.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 109.674 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.69 -3.37 46.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.93 . . . . 0.0 108.687 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' ARG . 12.5 t 41.51 77.05 0.06 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.763 -0.586 . . . . 0.0 110.081 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.95 159.18 22.32 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -99.05 133.07 43.85 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.437 0.637 . . . . 0.0 109.717 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.47 86.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.473 -0.767 . . . . 0.0 109.681 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -63.12 -46.04 89.16 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.126 -0.983 . . . . 0.0 110.003 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -64.05 -49.33 72.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.974 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.444 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 92.8 t -67.17 -45.84 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.328 -0.858 . . . . 0.0 110.29 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.82 81.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.34 -0.85 . . . . 0.0 110.234 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.82 -42.7 85.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -0.996 . . . . 0.0 110.203 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -71.09 -43.01 68.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.157 -0.965 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 92.2 mtp -66.04 -39.18 89.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.948 -1.095 . . . . 0.0 109.555 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.33 27.94 7.43 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.21 161.83 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.411 -1.053 . . . . 0.0 109.356 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.2 t -73.77 156.7 37.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.536 -0.728 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -63.56 -37.9 89.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.401 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -56.2 -42.31 76.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.406 -0.809 . . . . 0.0 109.019 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -67.19 -39.39 86.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.335 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.25 -43.91 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.154 -0.966 . . . . 0.0 109.213 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -66.18 -33.1 74.99 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 108.804 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.26 -37.78 86.76 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.37 -43.84 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -65.34 -23.63 67.05 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.79 -0.09 57.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.378 -0.826 . . . . 0.0 108.99 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.9 t -56.35 141.5 41.59 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.848 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -110.29 -52.09 2.81 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.612 -0.68 . . . . 0.0 109.951 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 98.6 m -118.03 131.81 56.43 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.5 -0.75 . . . . 0.0 109.364 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.97 152.92 80.08 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.28 151.68 71.82 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.627 2.218 . . . . 0.0 112.516 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.46 HG11 ' NE2' ' A' ' 31' ' ' GLN . 16.8 m -64.96 -12.37 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.624 -0.672 . . . . 0.0 109.861 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.1 t -59.17 -42.86 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.0 109.443 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.27 -46.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.153 -0.967 . . . . 0.0 109.066 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.59 -39.06 93.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.14 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -43.27 91.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.82 -43.08 96.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.9 73.76 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.483 -0.76 . . . . 0.0 109.195 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.618 ' CZ ' ' NZ ' ' B' ' 54' ' ' LYS . 6.5 t80 -70.34 -28.32 65.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.814 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 7' ' ' LEU . 96.9 mt -73.36 -50.69 20.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.728 -1.233 . . . . 0.0 110.189 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -67.11 -21.57 65.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 109.038 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.8 m -59.26 -33.44 71.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.633 -0.667 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.618 ' NZ ' ' CZ ' ' B' ' 50' ' ' PHE . 14.6 mptt -91.32 7.52 40.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.376 -0.827 . . . . 0.0 109.4 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.26 19.72 56.51 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 51' ' ' LEU . 60.1 t -59.81 147.32 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -1.149 . . . . 0.0 109.235 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.07 47.82 0.11 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 58' ' ' LEU . 0.2 OUTLIER -62.16 -40.68 96.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.496 -0.752 . . . . 0.0 109.116 -179.351 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -59.96 -40.27 88.47 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.77 81.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.552 -0.717 . . . . 0.0 109.57 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.507 ' O ' HD23 ' B' ' 61' ' ' LEU . 1.7 tt -60.08 -49.18 78.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.207 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -70.83 -35.46 72.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.11 -0.993 . . . . 0.0 109.617 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.68 -43.34 57.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -60.94 -35.36 76.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.961 -1.087 . . . . 0.0 108.673 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.863 179.621 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 121.699 0.761 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' B' ' 65' ' ' ILE . 59.5 mt -63.9 -40.56 96.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.663 -0.648 . . . . 0.0 110.16 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -44.75 -55.79 5.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.397 -0.814 . . . . 0.0 110.213 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.5 t30 -65.56 -40.5 92.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.385 -0.822 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.77 -48.46 79.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 109.866 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.463 HD23 ' CE1' ' B' ' 47' ' ' TYR . 11.1 mp -62.92 -40.82 98.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 108.654 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.91 -39.19 91.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.44 -0.787 . . . . 0.0 109.328 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' ASN . 48.4 t -60.4 -47.24 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.334 -0.854 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -66.31 -37.23 84.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.143 -0.973 . . . . 0.0 108.748 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.4 ttt180 -61.57 -45.93 92.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.589 -0.694 . . . . 0.0 109.658 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.573 -0.704 . . . . 0.0 109.837 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 13' ' ' ARG . 41.6 ttm180 -65.77 -43.2 89.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.319 -0.863 . . . . 0.0 109.407 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.0 mt -90.12 0.8 56.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.308 -0.87 . . . . 0.0 108.932 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' ARG . 24.5 p 35.47 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.493 0.663 . . . . 0.0 110.533 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -109.15 136.66 48.27 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.524 -0.735 . . . . 0.0 109.121 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -88.06 138.97 30.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.449 -0.782 . . . . 0.0 110.48 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.34 90.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.8 -0.562 . . . . 0.0 109.805 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.33 -46.13 88.04 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.074 -1.016 . . . . 0.0 109.599 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -64.81 -46.81 80.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.73 -43.81 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -0.836 . . . . 0.0 109.665 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.11 76.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.496 -0.753 . . . . 0.0 110.148 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -68.79 -35.97 77.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.25 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -46.78 69.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.957 -1.089 . . . . 0.0 109.11 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.9 mtp -63.69 -39.18 93.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.601 -0.687 . . . . 0.0 109.409 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.02 7.12 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -125.68 162.8 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.478 -1.013 . . . . 0.0 109.66 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -71.26 151.82 43.89 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.643 0.735 . . . . 0.0 109.844 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 29' ' ' ARG . 1.9 ttp180 -60.89 -40.57 93.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.741 -0.6 . . . . 0.0 109.758 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -40.23 72.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.0 109.101 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.62 -46.51 78.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.361 -0.837 . . . . 0.0 109.399 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.4 -39.14 91.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.635 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.67 -41.37 81.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.87 . . . . 0.0 109.795 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -63.54 -43.15 97.93 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.194 -0.941 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.45 -44.09 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 109.393 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.53 -31.97 73.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.584 -0.698 . . . . 0.0 110.118 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 38' ' ' SER . 84.9 mt-30 -84.93 -4.68 59.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.997 -1.065 . . . . 0.0 109.736 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 1.4 m 163.11 115.49 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.17 120.19 41.47 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.745 0.783 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.0 p -83.05 166.7 18.54 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.211 -0.931 . . . . 0.0 109.708 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.1 109.06 60.8 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 121.424 -0.798 . . . . 0.0 109.213 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.68 163.24 29.35 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.219 1.946 . . . . 0.0 112.908 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 43' ' ' VAL . 12.4 m -62.04 -19.18 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.477 -0.764 . . . . 0.0 109.849 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.44 -43.64 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.992 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.54 -42.65 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.801 . . . . 0.0 109.238 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.71 -42.5 88.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.112 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -60.86 -47.94 84.08 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -44.05 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.442 -0.786 . . . . 0.0 109.619 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.31 99.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CZ ' ' OE2' ' B' ' 24' ' ' GLU . 46.8 t80 -62.37 -46.35 89.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.497 -0.752 . . . . 0.0 109.743 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.2 mt -63.68 -41.32 98.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.195 -0.941 . . . . 0.0 109.356 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -64.62 -36.58 84.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.406 -0.809 . . . . 0.0 109.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.8 p -59.53 -21.99 61.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 109.443 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.5 -1.61 55.4 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.26 -0.9 . . . . 0.0 109.352 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.24 24.67 58.85 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.15 -19.66 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.104 -1.233 . . . . 0.0 108.904 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 63.9 83.46 0.16 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.613 0.721 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 58' ' ' LEU . 3.7 mm? -84.47 -4.43 58.93 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 p30 -61.41 -45.0 96.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.52 -0.737 . . . . 0.0 109.184 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -66.57 -44.81 81.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.0 109.737 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.27 -46.34 87.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.232 -0.918 . . . . 0.0 109.874 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.92 -31.52 68.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.355 -0.84 . . . . 0.0 109.439 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -37.27 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 109.072 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.5 -36.36 82.28 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.4 mm . . . . . 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 109.237 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.637 0.732 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.63 -40.29 96.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.689 . . . . 0.0 109.671 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.3 t -59.24 -47.33 85.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 110.154 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -68.88 -42.22 77.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.189 -0.945 . . . . 0.0 109.782 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.443 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 42.1 mt-10 -65.75 -42.73 90.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.746 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 51' ' ' LEU . 44.1 tp -62.16 -41.57 98.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.478 -0.764 . . . . 0.0 109.196 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -62.5 -36.73 83.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 0.0 109.636 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.73 -47.12 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 109.705 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 1.7 mp0 -64.27 -38.68 91.92 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.037 -1.04 . . . . 0.0 108.806 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.56 -49.07 76.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.539 -0.726 . . . . 0.0 109.432 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.15 -43.87 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.519 -0.738 . . . . 0.0 109.472 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -60.63 -43.63 97.29 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' B' ' 15' ' ' SER . 88.1 mt -84.58 -4.14 58.82 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.423 ' C ' ' O ' ' B' ' 14' ' ' LEU . 34.8 t 38.19 74.78 0.08 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.802 -0.561 . . . . 0.0 110.376 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -101.61 134.21 45.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.282 -0.886 . . . . 0.0 109.53 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -70.72 136.45 48.97 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.637 0.732 . . . . 0.0 110.364 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.07 84.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.704 -0.623 . . . . 0.0 109.722 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.75 -46.01 91.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.771 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.64 -44.65 95.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.34 -22.7 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.374 -0.829 . . . . 0.0 109.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.34 -30.86 27.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.006 -1.059 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -68.46 -45.11 73.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.568 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.542 ' OE2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.4 -44.44 67.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.285 -0.884 . . . . 0.0 109.659 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 80.5 mtp -68.29 -36.28 79.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 109.49 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.1 48.04 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 pt -117.27 -174.44 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.505 -0.997 . . . . 0.0 109.359 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -96.6 165.0 12.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.483 -0.761 . . . . 0.0 110.286 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -63.95 -37.13 86.29 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.419 0.628 . . . . 0.0 109.367 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -57.37 -43.99 84.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 109.331 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -65.54 -43.71 89.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 47' ' ' TYR . 41.9 tp -64.74 -42.18 95.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.856 . . . . 0.0 109.173 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -33.23 75.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.438 -0.789 . . . . 0.0 109.882 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.72 -41.05 94.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.17 -0.956 . . . . 0.0 109.569 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.91 -43.71 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' B' ' 38' ' ' SER . 0.6 OUTLIER -64.19 -30.3 71.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.459 -0.775 . . . . 0.0 109.795 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -73.37 31.84 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.07 -1.019 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.527 ' H ' ' C ' ' B' ' 36' ' ' GLU . 2.0 m 57.83 81.19 0.15 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.629 -0.67 . . . . 0.0 111.034 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' B' ' 40' ' ' THR . 4.3 tm-20 -100.5 -14.45 18.24 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER 80.74 170.02 0.14 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.215 0.531 . . . . 0.0 110.092 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.77 148.47 39.99 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 0.0 109.895 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.18 160.93 41.7 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.893 2.395 . . . . 0.0 112.611 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 m -65.21 -19.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.388 -0.82 . . . . 0.0 109.714 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.07 -42.42 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.263 -0.898 . . . . 0.0 108.666 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -43.43 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 108.878 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -62.36 -37.01 84.02 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.193 -0.942 . . . . 0.0 109.806 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.463 ' CE1' HD23 ' A' ' 7' ' ' LEU . 57.9 t80 -60.29 -52.51 64.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.048 -1.033 . . . . 0.0 110.338 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 pt -63.86 -27.46 42.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.086 -1.009 . . . . 0.0 108.49 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.22 93.36 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.12 -45.04 91.95 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.99 -38.2 90.22 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.48 -21.07 65.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.269 -0.894 . . . . 0.0 109.056 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 63.4 p -58.44 -33.25 69.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.159 -0.963 . . . . 0.0 108.453 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -91.54 -0.31 57.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.74 29.38 35.46 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' B' ' 58' ' ' LEU . 83.4 t -63.38 123.79 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.322 . . . . 0.0 109.117 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.08 68.28 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.528 -0.733 . . . . 0.0 110.426 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.7 tp -65.53 -38.47 89.74 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.4 OUTLIER -45.8 -40.68 9.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.532 -0.73 . . . . 0.0 109.287 -179.364 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.11 83.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.501 -0.749 . . . . 0.0 109.93 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.07 -43.64 98.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.346 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.61 -40.91 84.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -66.53 -19.21 65.73 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.3 -0.875 . . . . 0.0 109.639 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -89.68 -23.07 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.202 -0.936 . . . . 0.0 109.866 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ILE . . . . . 0.441 ' CD1' HD21 ' A' ' 3' ' ' LEU . 97.9 mt . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.136 -0.977 . . . . 0.0 110.46 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.635 0.731 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.4 -39.87 95.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.499 -0.75 . . . . 0.0 110.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 p -57.97 -41.04 82.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.026 -1.046 . . . . 0.0 110.292 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -64.57 -46.9 80.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.029 -1.044 . . . . 0.0 109.835 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.23 -37.16 77.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.86 . . . . 0.0 109.168 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.39 -41.91 98.78 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.309 -0.869 . . . . 0.0 109.391 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.5 -41.66 98.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.961 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.08 -44.45 98.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.79 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -58.74 -41.77 87.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.566 HH22 ' CD ' ' A' ' 36' ' ' GLU . 36.7 ttm180 -56.58 -46.58 80.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 0.0 108.723 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.16 -42.72 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.655 -0.653 . . . . 0.0 109.412 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.1 ttm-85 -55.39 -44.97 76.62 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 0.0 110.011 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -102.78 2.51 35.68 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 108.874 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 11' ' ' ARG . 16.2 m 42.19 82.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.691 HD11 ' HZ2' ' B' ' 54' ' ' LYS . 8.3 mp -106.17 153.43 22.12 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 121.597 0.713 . . . . 0.0 109.804 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.9 p -112.35 144.16 42.24 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.459 0.647 . . . . 0.0 109.81 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.42 87.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.463 -0.773 . . . . 0.0 109.633 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -63.4 -44.31 95.05 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.003 -1.06 . . . . 0.0 109.816 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -62.18 -47.39 84.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.185 -0.947 . . . . 0.0 109.929 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.04 -43.76 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.925 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.77 95.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.401 -0.812 . . . . 0.0 110.499 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -68.24 -40.29 82.05 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.008 -1.058 . . . . 0.0 109.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -72.97 -43.31 62.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 109.943 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.9 mmm -64.84 -39.15 93.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 109.966 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.83 23.13 14.06 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -124.73 162.85 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.225 0 O-C-N 121.44 -1.035 . . . . 0.0 109.928 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.4 p -79.07 166.29 22.46 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 110.008 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' H ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.48 -35.66 81.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.466 -0.771 . . . . 0.0 108.935 179.411 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.64 -45.47 77.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.262 -0.899 . . . . 0.0 109.459 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -64.01 -43.25 96.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.347 -0.846 . . . . 0.0 109.071 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.49 -39.84 95.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.422 -0.799 . . . . 0.0 108.977 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.41 74.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 109.82 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -61.89 -41.07 97.46 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.317 -0.864 . . . . 0.0 109.139 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.1 -44.33 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.313 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.566 ' CD ' HH22 ' A' ' 11' ' ' ARG . 69.8 tt0 -69.48 -13.01 62.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.0 108.552 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -72.02 38.37 0.07 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.861 -1.149 . . . . 0.0 109.381 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' GLU . 47.1 t 48.45 -105.42 0.15 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.451 -0.781 . . . . 0.0 110.887 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 38' ' ' SER . 64.3 mm-40 59.17 142.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.879 0.847 . . . . 0.0 110.086 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -62.56 139.55 58.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.59 0.71 . . . . 0.0 110.069 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.32 93.29 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.533 -0.73 . . . . 0.0 110.024 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.53 154.79 72.15 Favored 'Trans proline' 0 N--CA 1.502 1.996 0 C-N-CA 123.023 2.482 . . . . 0.0 113.183 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.36 -23.44 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 110.125 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 3.1 m -58.64 -40.43 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.904 -1.123 . . . . 0.0 108.975 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 51.7 t -63.06 -44.26 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.409 -0.807 . . . . 0.0 109.212 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -61.62 -41.23 97.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.377 -0.827 . . . . 0.0 108.807 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -44.29 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 108.813 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.81 -42.84 97.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.425 -0.797 . . . . 0.0 109.038 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.68 68.15 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.21 -0.931 . . . . 0.0 109.587 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 6.3 t80 -62.32 -45.7 92.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 108.97 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.69 -36.71 81.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.245 -0.91 . . . . 0.0 109.281 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.81 -40.57 88.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.6 m -55.17 -30.42 59.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.538 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 14.6 mptt -83.13 2.6 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.279 -0.888 . . . . 0.0 109.014 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.09 24.78 60.9 Favored Glycine 0 N--CA 1.492 2.404 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.64 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.66 135.33 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.788 -1.419 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 1.2 p30 -76.85 93.71 3.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 0.0 110.075 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.25 -12.83 51.59 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 32.9 p-10 -63.44 -45.61 90.09 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -0.828 . . . . 0.0 110.116 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -70.72 -40.63 72.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.123 -0.986 . . . . 0.0 110.249 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.9 tt -62.36 -48.39 80.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.908 . . . . 0.0 109.816 -178.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.18 -35.59 74.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.36 -0.838 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.6 -48.53 80.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.951 -1.093 . . . . 0.0 111.645 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -62.61 -41.95 99.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.595 -1.316 . . . . 0.0 110.153 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.3 -1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.157 -179.215 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 28.0 tt0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.264 0.554 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 2' ' ' GLU . 47.7 tp -60.3 -44.7 95.18 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.455 -0.778 . . . . 0.0 110.293 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t -61.29 -34.61 75.49 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -61.45 -43.86 98.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 111.387 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 26.1 mp0 -69.77 -43.24 72.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.712 -1.243 . . . . 0.0 110.254 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.96 -39.71 93.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.958 -1.089 . . . . 0.0 109.032 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.95 -45.11 95.09 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.104 -0.998 . . . . 0.0 109.794 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.0 -45.88 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.23 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.619 ' CD ' HH21 ' B' ' 13' ' ' ARG . 74.4 mm-40 -62.58 -37.6 86.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 109.308 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' B' ' 15' ' ' SER . 8.9 ttt180 -60.69 -42.71 97.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.83 -44.49 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.486 -0.759 . . . . 0.0 109.519 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.619 HH21 ' CD ' ' B' ' 10' ' ' GLU . 56.3 mtm180 -65.13 -40.46 94.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.415 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 15' ' ' SER . 86.3 mt -89.59 -5.8 56.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 11' ' ' ARG . 60.1 p 38.97 61.13 1.31 Allowed 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.145 0.498 . . . . 0.0 109.859 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.8 mt -104.32 125.25 50.4 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.486 -0.758 . . . . 0.0 109.526 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 p -87.64 162.91 16.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.353 -0.842 . . . . 0.0 110.528 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.98 81.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.688 -0.632 . . . . 0.0 109.506 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.97 -44.87 95.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.068 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.9 t -61.63 -48.03 82.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -0.966 . . . . 0.0 110.221 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.07 -43.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.7 -30.28 70.65 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.352 -0.842 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.054 -1.029 . . . . 0.0 108.876 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.23 -46.65 17.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 109.534 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -65.0 -39.58 93.67 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.596 -0.69 . . . . 0.0 109.485 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.43 31.84 26.67 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.61 168.21 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.465 -1.021 . . . . 0.0 109.863 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -68.98 152.77 44.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -63.96 -39.23 93.67 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -40.43 91.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.505 -0.747 . . . . 0.0 109.77 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -58.36 -41.98 85.91 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.266 -0.896 . . . . 0.0 109.391 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.2 -41.52 99.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.195 -0.941 . . . . 0.0 108.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.44 -33.68 74.13 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.37 -0.831 . . . . 0.0 109.182 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.65 -38.54 90.7 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.422 -0.799 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.59 -44.15 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.188 -0.945 . . . . 0.0 108.936 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.52 -30.61 64.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -93.81 12.57 25.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.226 -0.921 . . . . 0.0 109.565 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -68.77 155.4 40.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.481 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.28 -37.47 77.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.518 -0.739 . . . . 0.0 109.908 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.606 HG22 ' N ' ' B' ' 41' ' ' ALA . 86.0 m -166.52 166.9 16.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.988 -1.07 . . . . 0.0 109.577 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.606 ' N ' HG22 ' B' ' 40' ' ' THR . . . -84.8 153.33 60.68 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 109.407 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.95 155.32 64.94 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.775 2.317 . . . . 0.0 112.793 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.21 -27.14 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.408 -0.808 . . . . 0.0 110.382 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.434 HG13 ' N ' ' B' ' 45' ' ' VAL . 9.7 p -53.98 -37.11 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.065 -1.022 . . . . 0.0 109.103 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.434 ' N ' HG13 ' B' ' 44' ' ' VAL . 69.4 t -64.08 -44.33 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.338 -0.851 . . . . 0.0 108.952 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.35 -38.03 87.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.302 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -59.15 -48.56 81.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.0 108.796 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.15 -42.06 94.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -37.28 67.47 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.436 -0.79 . . . . 0.0 109.027 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.57 -45.1 95.18 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.4 -41.44 98.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.604 -0.685 . . . . 0.0 109.316 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.44 HH21 ' HA2' ' B' ' 55' ' ' GLY . 0.8 OUTLIER -66.92 -25.88 66.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.046 -1.034 . . . . 0.0 109.087 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -63.91 -23.16 67.24 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.057 -1.027 . . . . 0.0 109.146 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.691 ' HZ2' HD11 ' A' ' 16' ' ' LEU . 98.3 mttt -93.77 2.11 56.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.028 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLY . . . . . 0.44 ' HA2' HH21 ' B' ' 52' ' ' ARG . . . 86.02 25.92 36.0 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.9 t -68.6 129.99 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.787 -1.419 . . . . 0.0 109.089 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -58.25 100.15 0.06 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.411 -0.805 . . . . 0.0 111.07 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -15.88 28.19 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.567 ' OD1' ' N ' ' B' ' 60' ' ' ALA . 31.9 p30 -66.03 -39.78 90.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.274 -0.891 . . . . 0.0 110.498 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.567 ' N ' ' OD1' ' B' ' 59' ' ' ASN . . . -83.36 -31.58 26.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.129 -0.982 . . . . 0.0 109.833 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.7 -44.08 97.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.111 -0.993 . . . . 0.0 109.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.84 -33.14 24.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.356 -0.84 . . . . 0.0 110.967 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.56 -42.7 99.23 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.864 -1.148 . . . . 0.0 110.377 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -62.12 -40.88 97.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.963 . . . . 0.0 109.715 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.802 0.81 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.71 -41.97 98.02 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.669 0.747 . . . . 0.0 110.27 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.4 m -60.21 -40.38 89.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.627 0.727 . . . . 0.0 110.338 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.86 -41.27 99.31 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.459 -0.776 . . . . 0.0 110.382 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.492 ' OE1' HD11 ' B' ' 61' ' ' LEU . 35.0 mt-10 -66.8 -35.87 81.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.333 -0.855 . . . . 0.0 109.938 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.74 -43.27 99.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.33 -0.856 . . . . 0.0 110.052 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.99 -40.25 87.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.742 . . . . 0.0 109.764 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.55 -44.76 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.445 -0.784 . . . . 0.0 109.885 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' A' ' 13' ' ' ARG . 46.8 mm-40 -60.77 -42.05 96.71 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.276 -0.89 . . . . 0.0 109.13 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' NH2' ' OE2' ' A' ' 36' ' ' GLU . 3.1 tpp85 -63.99 -47.93 78.42 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.162 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.26 -43.19 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.555 0.693 . . . . 0.0 109.755 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 54.3 ttp180 -61.63 -41.17 97.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.738 0.78 . . . . 0.0 109.002 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 HG22 ' B' ' 56' ' ' VAL . 44.5 mt -85.36 -6.49 59.23 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.808 0.813 . . . . 0.0 108.853 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t 42.1 70.65 0.26 Allowed 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.719 0.771 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.49 135.32 49.16 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.673 0.749 . . . . 0.0 110.026 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -80.05 147.91 31.29 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.79 0.805 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -36.31 66.51 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.596 0.712 . . . . 0.0 109.589 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.21 -47.61 85.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.631 -0.668 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -63.97 -47.61 79.72 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.476 0.655 . . . . 0.0 109.902 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.18 -43.95 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.69 0.757 . . . . 0.0 109.796 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.41 77.07 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.559 0.695 . . . . 0.0 109.525 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.05 -46.56 80.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.651 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.88 55.77 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.091 -1.005 . . . . 0.0 109.538 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.42 -40.45 93.35 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.66 0.743 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.42 30.26 11.06 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.94 167.56 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.493 -1.004 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -74.23 158.14 34.62 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.98 0.895 . . . . 0.0 110.306 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -64.24 -35.7 81.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.87 -39.9 94.28 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 121.558 0.694 . . . . 0.0 109.278 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -58.24 -44.34 88.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.47 -0.769 . . . . 0.0 109.006 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.16 -43.81 94.05 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.755 0.788 . . . . 0.0 109.115 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -34.48 78.2 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.871 0.843 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.05 -36.53 84.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.635 0.731 . . . . 0.0 109.127 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.13 -42.77 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.534 -0.729 . . . . 0.0 109.237 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.52 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 82.9 mt-10 -61.55 -35.21 77.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.411 -0.806 . . . . 0.0 109.715 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.63 3.58 47.18 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.307 -0.871 . . . . 0.0 109.385 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 t -66.08 144.25 56.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.393 -0.817 . . . . 0.0 110.458 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.5 -93.22 0.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.63 0.728 . . . . 0.0 109.648 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 41' ' ' ALA . 67.0 m -81.59 164.12 22.12 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.673 0.749 . . . . 0.0 110.38 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.558 ' N ' HG22 ' A' ' 40' ' ' THR . . . -91.07 158.68 41.21 Favored Pre-proline 0 N--CA 1.492 1.67 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.37 160.82 47.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.608 2.205 . . . . 0.0 112.834 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.76 -21.29 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.458 0.646 . . . . 0.0 109.549 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.61 -44.92 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.453 -0.779 . . . . 0.0 109.402 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.94 -41.79 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.606 -0.684 . . . . 0.0 109.433 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.06 -43.0 99.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.52 -0.737 . . . . 0.0 109.686 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' B' ' 32' ' ' LEU . 49.1 t80 -62.53 -42.9 99.82 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.117 0.961 . . . . 0.0 109.006 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.26 -42.31 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.91 71.29 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 11.9 t80 -60.8 -47.32 86.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.269 -0.894 . . . . 0.0 108.724 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -65.85 -38.34 88.58 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.82 0.819 . . . . 0.0 109.253 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HE ' ' CD1' ' A' ' 58' ' ' LEU . 9.8 tpp85 -61.58 -45.48 93.92 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.566 0.698 . . . . 0.0 110.784 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.3 t -57.05 -16.73 7.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.485 -0.759 . . . . 0.0 110.25 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.556 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 62.3 mttp -99.79 11.4 39.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.161 -0.962 . . . . 0.0 109.358 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.24 34.38 85.54 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.42 -20.97 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.972 -1.31 . . . . 0.0 109.29 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.14 103.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.839 0.828 . . . . 0.0 110.253 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.525 ' CD1' ' HE ' ' A' ' 52' ' ' ARG . 15.2 mt -91.57 -2.42 57.14 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -60.95 -44.69 96.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.473 -0.767 . . . . 0.0 109.597 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.48 67.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.462 -0.774 . . . . 0.0 109.879 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 61' ' ' LEU . 2.2 tt -62.1 -55.32 30.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.392 -0.817 . . . . 0.0 110.453 -178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -70.23 -37.27 74.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.455 -0.778 . . . . 0.0 110.435 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -55.21 -34.19 63.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -62.54 -50.57 70.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.351 -0.843 . . . . 0.0 110.174 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.856 . . . . 0.0 109.959 -179.82 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 122.028 0.918 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.15 -41.79 99.34 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.447 0.641 . . . . 0.0 109.944 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 77.6 p -62.75 -43.77 97.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.52 -0.737 . . . . 0.0 109.862 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ASN . . . . . 0.439 ' O ' HG23 ' B' ' 9' ' ' VAL . 8.9 t30 -72.75 -46.54 52.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.46 -0.775 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.456 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 2.4 tt0 -66.88 -43.13 84.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.61 -42.29 98.67 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.626 0.727 . . . . 0.0 109.845 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.26 -40.14 95.39 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 5' ' ' ASN . 45.6 t -59.61 -44.03 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.607 -0.683 . . . . 0.0 109.875 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 4.1 mp0 -63.31 -35.82 81.63 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.219 -0.926 . . . . 0.0 109.708 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' B' ' 15' ' ' SER . 9.7 ttm180 -59.66 -42.13 92.13 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.25 -0.907 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.84 -42.03 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 109.001 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -51.13 -44.55 61.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 0.0 108.634 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 mt -98.91 0.39 43.99 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.475 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.3 m 39.2 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.495 0.664 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -109.11 133.31 53.17 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.721 0.772 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p -84.96 153.29 22.89 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.854 0.835 . . . . 0.0 110.014 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.2 -36.99 80.43 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.727 0.775 . . . . 0.0 109.612 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.01 -41.98 99.72 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.488 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 72.3 m -60.49 -47.14 87.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 109.357 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.1 t -64.81 -44.73 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.379 -0.826 . . . . 0.0 109.826 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' B' ' 27' ' ' ILE . . . -65.07 -24.72 67.54 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 109.371 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.65 -44.71 81.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.433 -0.792 . . . . 0.0 109.505 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.7 -55.31 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.784 0.802 . . . . 0.0 110.105 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mtp -65.3 -40.45 93.81 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.591 0.71 . . . . 0.0 109.709 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.79 5.55 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.445 ' O ' ' HB1' ' B' ' 22' ' ' ALA . 34.7 pt -123.26 162.82 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.621 -0.929 . . . . 0.0 109.994 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -67.54 150.06 49.32 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 122.108 0.956 . . . . 0.0 110.296 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 mtm-85 -63.54 -37.23 86.54 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.265 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.53 -37.27 86.96 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.699 0.762 . . . . 0.0 109.063 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.1 -39.93 87.88 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.645 0.736 . . . . 0.0 109.024 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 47' ' ' TYR . 13.9 tp -63.72 -41.2 98.11 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.789 0.804 . . . . 0.0 109.62 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 89.4 m -63.77 -34.87 78.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 109.578 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -61.87 -40.39 95.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.428 -0.795 . . . . 0.0 109.18 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.7 -43.37 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.768 . . . . 0.0 109.406 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.421 ' CD ' HH21 ' B' ' 11' ' ' ARG . 28.5 tp10 -68.19 -30.98 70.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.602 -0.687 . . . . 0.0 109.749 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -85.19 0.28 52.29 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.289 -0.882 . . . . 0.0 109.655 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 56.4 m -88.09 117.6 27.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.24 -0.913 . . . . 0.0 109.905 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -95.34 -9.78 31.96 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.2 p -106.84 135.72 47.91 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.418 -0.801 . . . . 0.0 109.771 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.96 150.01 39.86 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.886 -0.509 . . . . 0.0 109.921 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.85 160.11 50.43 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 123.081 2.521 . . . . 0.0 113.216 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -64.46 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.392 0.615 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -48.34 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.304 -0.873 . . . . 0.0 109.929 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.2 -43.5 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.402 -0.811 . . . . 0.0 109.559 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -62.07 -39.57 92.87 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.715 0.769 . . . . 0.0 109.209 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.418 ' OH ' ' NE ' ' A' ' 11' ' ' ARG . 68.8 t80 -62.09 -42.02 98.79 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.76 0.791 . . . . 0.0 109.438 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.27 -42.96 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 121.84 0.828 . . . . 0.0 108.901 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.12 74.21 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.616 0.722 . . . . 0.0 109.578 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.19 -40.6 96.57 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.66 -40.76 88.81 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.269 -0.894 . . . . 0.0 108.637 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 52' ' ' ARG . 11.3 tpt180 -60.7 -35.79 77.17 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.275 -0.891 . . . . 0.0 108.751 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -56.06 -21.49 22.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 108.84 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -99.39 -3.73 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 38.17 24.26 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.466 HG22 HD11 ' A' ' 14' ' ' LEU . 49.1 t -71.37 -19.71 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.266 -1.138 . . . . 0.0 109.217 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.28 67.47 0.94 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.445 0.641 . . . . 0.0 109.962 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 5.94 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.943 . . . . 0.0 109.062 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.04 -42.17 98.9 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.874 0.845 . . . . 0.0 108.985 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.714 ' HB1' HH21 ' B' ' 64' ' ' ARG . . . -79.31 -22.09 45.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.551 -0.718 . . . . 0.0 109.376 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 6' ' ' GLU . 55.9 tp -63.59 -49.42 73.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.497 -0.752 . . . . 0.0 109.895 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -72.17 -42.94 65.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 109.385 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.01 -19.24 51.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 108.399 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.714 HH21 ' HB1' ' B' ' 60' ' ' ALA . 4.1 tpp85 -66.45 -42.33 87.78 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.838 0.828 . . . . 0.0 109.086 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.49 1.569 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 -178.51 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.521 0.677 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -61.28 -51.71 67.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.514 -0.741 . . . . 0.0 110.25 -178.55 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -68.35 -32.69 72.97 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.784 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.39 -42.97 98.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.677 -0.639 . . . . 0.0 110.211 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 40.5 mt-10 -66.11 -38.54 88.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' B' ' 51' ' ' LEU . 37.2 tp -62.96 -40.96 99.29 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.456 0.646 . . . . 0.0 109.808 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.96 -37.54 87.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.481 -0.762 . . . . 0.0 109.638 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.36 -44.99 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.749 -0.595 . . . . 0.0 109.68 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 1.3 mp0 -67.14 -38.82 86.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.576 -0.702 . . . . 0.0 109.19 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 36' ' ' GLU . 62.1 ttp180 -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.58 -41.95 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.508 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 13' ' ' ARG . 14.9 ttm180 -58.47 -43.77 89.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.51 -0.744 . . . . 0.0 109.341 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' SER . 97.6 mt -92.05 -3.61 55.55 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LEU . 32.3 t 39.82 70.6 0.22 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.79 0.805 . . . . 0.0 110.163 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -103.75 134.9 46.29 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.822 0.82 . . . . 0.0 110.227 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -74.81 138.49 42.63 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 122.015 0.912 . . . . 0.0 109.895 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.74 -37.29 87.1 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.381 0.61 . . . . 0.0 109.536 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' H ' HH21 ' A' ' 29' ' ' ARG . 88.2 tttt -62.76 -43.49 98.66 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.325 0.583 . . . . 0.0 109.726 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -60.23 -50.26 74.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.539 -0.725 . . . . 0.0 110.148 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.53 -42.71 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.686 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.38 85.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.638 -0.664 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -67.85 -39.14 83.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.544 -0.722 . . . . 0.0 109.765 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.22 -41.71 85.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.444 -0.785 . . . . 0.0 109.692 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mtp -66.14 -37.83 86.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.728 -0.608 . . . . 0.0 109.541 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.62 15.2 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -126.21 165.37 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.655 -0.909 . . . . 0.0 110.038 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -87.49 171.09 10.79 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.818 0.818 . . . . 0.0 109.982 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.483 HH21 ' H ' ' A' ' 19' ' ' LYS . 62.6 mtt180 -62.17 -36.07 80.74 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.289 0.566 . . . . 0.0 109.702 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -46.37 -51.06 15.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.56 -0.712 . . . . 0.0 109.453 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -71.23 -37.03 72.04 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.533 0.682 . . . . 0.0 109.826 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.18 -43.32 99.1 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.594 0.711 . . . . 0.0 109.815 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.12 -36.03 77.07 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.492 0.663 . . . . 0.0 109.754 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -64.15 -38.62 91.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.759 -0.588 . . . . 0.0 109.758 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -62.51 -43.18 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.583 -0.698 . . . . 0.0 109.761 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 19.3 tt0 -61.35 -35.31 77.07 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.39 19.47 0.98 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.561 ' O ' ' N ' ' A' ' 40' ' ' THR . 69.7 m -80.03 -5.6 56.1 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 53.47 -78.18 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.232 0.539 . . . . 0.0 110.41 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 38' ' ' SER . 64.6 p -96.11 165.67 12.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.73 0.776 . . . . 0.0 109.964 -179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.43 161.36 34.75 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.753 -0.592 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.01 150.18 48.13 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.43 2.086 . . . . 0.0 112.764 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.08 -20.64 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.577 -0.702 . . . . 0.0 109.371 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 t -64.65 -42.28 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.508 -0.745 . . . . 0.0 109.05 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.11 -45.1 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.43 -36.79 83.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.576 -0.703 . . . . 0.0 109.213 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.35 -53.55 56.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.632 -0.667 . . . . 0.0 109.686 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 pt -67.1 -28.53 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.363 -0.836 . . . . 0.0 109.126 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.16 84.46 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 73.6 t80 -61.68 -45.37 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -38.43 91.08 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -61.91 -40.73 96.47 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.676 -0.64 . . . . 0.0 109.363 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.6 p -62.46 -21.52 65.51 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.546 -0.721 . . . . 0.0 109.118 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 30.7 mmtp -84.17 6.73 21.39 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.99 13.14 78.25 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.79 134.0 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.311 -1.111 . . . . 0.0 109.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -70.1 79.6 0.5 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 122.059 0.933 . . . . 0.0 109.709 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.9 tp -92.33 -33.39 14.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.407 ' HB2' HH22 ' B' ' 52' ' ' ARG . 6.8 p-10 -62.33 -47.06 85.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.561 -0.712 . . . . 0.0 109.989 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.69 74.97 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.633 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.98 -44.55 91.61 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.695 -0.628 . . . . 0.0 109.552 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' ILE . 8.2 m-85 -73.13 -50.38 23.01 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.551 -0.718 . . . . 0.0 109.875 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -41.22 -37.52 0.95 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.771 -0.581 . . . . 0.0 110.915 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' HB3' HH11 ' A' ' 64' ' ' ARG . 0.0 OUTLIER -82.37 -25.07 34.14 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.724 -1.235 . . . . 0.0 110.051 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' PHE . 5.0 mm . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.638 -0.664 . . . . 0.0 109.588 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.61 0.719 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.13 -45.48 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.648 -0.658 . . . . 0.0 110.053 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -65.51 -37.78 87.77 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.468 0.652 . . . . 0.0 109.371 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ASN . . . . . 0.4 ' O ' HG23 ' B' ' 9' ' ' VAL . 24.9 t-20 -64.81 -45.62 85.46 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -70.72 -38.77 73.63 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.518 0.675 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.73 -41.72 98.0 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.557 0.694 . . . . 0.0 109.507 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.73 -39.88 95.48 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 5' ' ' ASN . 62.1 t -62.03 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.282 0.563 . . . . 0.0 109.514 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.1 -42.28 65.78 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' B' ' 15' ' ' SER . 59.8 ttt180 -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.699 -0.626 . . . . 0.0 109.507 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.7 -42.61 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.694 -0.629 . . . . 0.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -60.26 -43.5 96.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.46 -0.775 . . . . 0.0 109.334 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.9 mt -92.1 -4.05 54.88 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.457 ' N ' ' O ' ' B' ' 11' ' ' ARG . 15.6 m 40.15 51.63 2.69 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.86 0.838 . . . . 0.0 110.216 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.78 144.3 35.27 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.744 0.783 . . . . 0.0 110.209 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -92.92 139.28 30.7 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.799 0.809 . . . . 0.0 109.704 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.47 77.66 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.8 -44.79 95.22 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.386 0.613 . . . . 0.0 109.576 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -61.19 -49.08 78.63 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.395 0.617 . . . . 0.0 110.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.95 -45.0 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.442 -0.786 . . . . 0.0 109.927 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.96 69.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.1 88.47 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.592 0.71 . . . . 0.0 109.183 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.38 -46.87 37.6 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.69 0.757 . . . . 0.0 109.458 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -64.87 -39.32 93.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 32.07 36.06 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.1 pt -119.12 163.63 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.645 -0.915 . . . . 0.0 109.798 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m -66.58 149.39 50.54 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.912 0.863 . . . . 0.0 110.075 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -62.12 -33.2 74.02 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.321 0.582 . . . . 0.0 109.566 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.35 -44.21 92.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.602 -0.686 . . . . 0.0 109.557 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.94 -43.07 89.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.689 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.33 -41.11 96.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.533 -0.729 . . . . 0.0 109.876 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.73 -36.42 76.54 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.456 0.646 . . . . 0.0 109.759 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 38' ' ' SER . 34.3 m-20 -63.4 -40.45 97.23 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.309 0.576 . . . . 0.0 110.157 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.85 -43.73 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.789 -0.569 . . . . 0.0 109.611 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -66.92 -31.83 72.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.613 -0.679 . . . . 0.0 109.354 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -96.28 -7.1 36.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.387 -0.821 . . . . 0.0 109.415 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 34' ' ' ASN . 33.0 t -61.9 150.21 38.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.869 0.842 . . . . 0.0 110.332 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.2 -118.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.304 0.573 . . . . 0.0 110.031 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -87.56 169.25 12.34 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.954 0.883 . . . . 0.0 110.965 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.417 ' HB1' HG21 ' B' ' 45' ' ' VAL . . . -78.11 155.93 79.58 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.8 159.61 53.05 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.65 2.233 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.18 -16.83 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.64 -43.93 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.491 0.662 . . . . 0.0 109.623 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.417 HG21 ' HB1' ' B' ' 41' ' ' ALA . 54.2 t -62.35 -41.82 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 CA-C-O 121.493 0.664 . . . . 0.0 109.618 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -57.93 -40.92 81.61 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.51 -0.744 . . . . 0.0 109.246 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.52 -43.75 98.31 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.767 0.794 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.469 HG23 HD13 ' B' ' 58' ' ' LEU . 86.1 mt -63.49 -42.96 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-O 121.483 0.659 . . . . 0.0 109.705 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.16 73.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.631 -0.668 . . . . 0.0 109.585 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.624 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 13.3 t80 -61.13 -48.33 82.11 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 7' ' ' LEU . 92.4 mt -64.62 -39.45 93.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.407 HH22 ' HB2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -60.16 -40.93 91.64 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.399 0.619 . . . . 0.0 109.384 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t -58.0 -33.3 68.78 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.624 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 63.3 mttp -79.05 1.17 24.97 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.634 0.731 . . . . 0.0 109.065 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.76 88.11 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 57' ' ' ASP . 52.4 t -64.13 -21.0 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.504 -0.998 . . . . 0.0 109.069 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' B' ' 56' ' ' VAL . 10.1 t70 75.93 43.64 0.16 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.886 0.85 . . . . 0.0 108.824 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.469 HD13 HG23 ' B' ' 48' ' ' ILE . 5.5 tt -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.377 0.608 . . . . 0.0 109.881 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -44.24 -40.73 5.36 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.391 -0.818 . . . . 0.0 109.547 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.23 64.24 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.791 0.805 . . . . 0.0 109.243 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 58' ' ' LEU . 47.0 tp -60.27 -41.65 93.71 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -72.0 -41.98 66.98 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.603 -0.686 . . . . 0.0 110.795 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -51.59 -43.5 62.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.527 -0.733 . . . . 0.0 110.13 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.574 -0.704 . . . . 0.0 110.119 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 N--CA 1.503 2.176 0 O-C-N 121.306 -0.871 . . . . 0.0 109.369 179.685 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.362 0.601 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.42 -44.73 95.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.323 -0.861 . . . . 0.0 110.066 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 -39.27 78.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 110.467 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.7 t-20 -64.3 -42.39 96.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 0.0 109.955 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.27 -37.95 78.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.304 -0.873 . . . . 0.0 109.232 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -41.73 98.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.548 -0.72 . . . . 0.0 109.309 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -69.06 -42.07 76.73 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.885 -1.134 . . . . 0.0 109.988 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 5' ' ' ASN . 28.3 t -48.27 -64.46 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.112 -0.993 . . . . 0.0 110.506 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.626 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.43 -44.83 76.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.358 -0.839 . . . . 0.0 109.841 -179.033 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.8 -42.96 94.56 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.336 -0.852 . . . . 0.0 109.148 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.55 -43.39 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.817 -0.552 . . . . 0.0 109.906 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HE ' ' HA ' ' A' ' 10' ' ' GLU . 60.3 mtm180 -54.72 -43.74 72.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 109.609 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' SER . 90.6 mt -87.82 -0.89 57.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 108.6 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . 16.8 m 36.32 66.65 0.37 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.346 0.593 . . . . 0.0 110.225 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 85.0 mt -81.69 132.69 35.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.541 -0.724 . . . . 0.0 109.536 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -81.07 147.27 30.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.287 -0.883 . . . . 0.0 110.307 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.67 93.9 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.664 -0.648 . . . . 0.0 109.844 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -64.58 -45.76 85.63 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -64.96 -46.75 80.21 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.22 -0.925 . . . . 0.0 109.857 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -67.06 -47.21 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.354 -0.841 . . . . 0.0 110.021 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.79 94.99 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.0 110.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.09 -46.87 69.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 110.117 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -67.62 -49.03 65.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.386 -0.821 . . . . 0.0 110.01 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.91 -38.33 82.8 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.242 -0.911 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.95 44.01 4.9 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.7 pt -127.17 162.22 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.521 -0.988 . . . . 0.0 110.13 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -74.42 150.66 39.87 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.449 -0.782 . . . . 0.0 110.036 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -36.02 82.25 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -41.13 82.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.928 . . . . 0.0 109.129 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.35 -39.95 94.9 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.327 -0.858 . . . . 0.0 109.136 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.69 -45.9 90.65 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -37.27 84.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.97 -43.16 99.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.396 -0.815 . . . . 0.0 109.478 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.23 -42.95 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.0 109.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.19 -37.82 70.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.53 -0.731 . . . . 0.0 110.295 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -95.16 -3.9 47.02 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.121 -0.987 . . . . 0.0 109.372 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 147.79 45.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -0.898 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.5 31.12 1.5 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.661 -0.649 . . . . 0.0 109.281 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.92 108.09 6.07 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.262 -0.899 . . . . 0.0 109.075 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 150.96 94.0 Favored Pre-proline 0 N--CA 1.488 1.443 0 O-C-N 121.428 -0.795 . . . . 0.0 109.417 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.51 155.32 63.7 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.264 1.976 . . . . 0.0 112.958 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.64 -21.48 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.596 -0.69 . . . . 0.0 109.347 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.22 -44.17 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.39 -45.19 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.254 -0.904 . . . . 0.0 109.23 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.73 -40.78 98.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.26 -45.59 92.74 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.87 -43.03 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.232 0.539 . . . . 0.0 109.669 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.19 73.77 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.321 -0.862 . . . . 0.0 109.261 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.89 -47.38 85.23 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 51' ' ' LEU . 96.0 mt -65.7 -40.45 92.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.429 -0.794 . . . . 0.0 109.598 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -64.44 -36.65 84.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.147 -0.971 . . . . 0.0 109.749 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.0 p -59.79 -21.94 61.49 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.349 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -89.31 3.05 53.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.035 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.64 23.1 60.75 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.52 131.74 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.059 -1.259 . . . . 0.0 109.954 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.17 54.38 0.87 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.397 -0.814 . . . . 0.0 109.755 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp -77.98 -24.14 48.13 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -35.52 80.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.365 -0.835 . . . . 0.0 108.837 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.4 89.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.397 -0.815 . . . . 0.0 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -41.79 96.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.53 -36.84 83.86 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.166 -0.958 . . . . 0.0 110.425 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.43 -33.15 73.24 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.814 -1.179 . . . . 0.0 109.815 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.873 . . . . 0.0 110.472 -179.16 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 14.7 mt-10 . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.51 0.671 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.68 -43.14 97.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.484 -0.76 . . . . 0.0 109.769 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -55.86 -37.59 68.97 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.32 -0.862 . . . . 0.0 110.686 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ASN . . . . . 0.4 ' O ' HG23 ' B' ' 9' ' ' VAL . 20.3 t-20 -60.57 -45.96 91.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.943 -1.098 . . . . 0.0 111.012 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 6' ' ' GLU . 1.1 mp0 -69.21 -48.22 62.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.749 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.233 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -54.95 -42.36 72.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.771 . . . . 0.0 110.112 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 5' ' ' ASN . 67.1 t -60.53 -47.82 91.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.194 -0.942 . . . . 0.0 109.707 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.34 -30.84 65.11 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.784 -1.198 . . . . 0.0 109.35 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -61.39 -37.47 83.52 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.402 ' HA ' HH12 ' B' ' 11' ' ' ARG . 80.7 mt -85.01 -42.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.418 -0.801 . . . . 0.0 109.82 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -59.27 -42.14 90.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.082 -1.011 . . . . 0.0 108.64 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.05 -2.84 53.11 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m 41.01 82.77 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.278 0.561 . . . . 0.0 110.632 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.68 137.41 34.79 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.807 0.813 . . . . 0.0 109.775 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -94.46 123.58 37.97 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.674 0.75 . . . . 0.0 109.437 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.91 83.95 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.614 -0.679 . . . . 0.0 110.113 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.23 -0.919 . . . . 0.0 110.436 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -66.58 -46.62 75.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.156 -0.965 . . . . 0.0 109.998 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.75 -45.45 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.498 -0.751 . . . . 0.0 109.646 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.45 98.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.553 -0.717 . . . . 0.0 110.315 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.1 -49.5 71.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.197 -0.94 . . . . 0.0 109.674 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.86 -41.67 82.51 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.309 -0.869 . . . . 0.0 109.421 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -66.42 -39.34 88.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.501 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.55 11.02 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 27' ' ' ILE . 19.5 pt -127.02 165.85 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.355 -1.085 . . . . 0.0 110.1 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -74.14 153.26 39.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.449 -0.782 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -63.37 -36.06 82.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.609 -0.682 . . . . 0.0 109.745 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.91 -41.81 96.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.609 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.82 -41.42 97.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.905 . . . . 0.0 108.978 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.9 -41.95 99.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.549 -0.719 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -36.07 73.54 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.45 -0.781 . . . . 0.0 109.479 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.69 -39.22 90.68 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.91 97.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.589 -0.695 . . . . 0.0 109.458 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.03 -43.07 86.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.407 -0.808 . . . . 0.0 109.852 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -97.2 36.54 1.44 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.172 -0.955 . . . . 0.0 109.37 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -83.23 99.77 10.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.35 -0.843 . . . . 0.0 109.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -102.13 -10.46 19.62 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.5 m -125.49 93.68 3.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.75 153.99 89.29 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.375 -0.828 . . . . 0.0 109.773 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.76 162.26 43.21 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.677 2.251 . . . . 0.0 113.059 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.429 ' H ' HG22 ' B' ' 43' ' ' VAL . 9.3 m -59.18 -18.35 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.466 -0.771 . . . . 0.0 109.845 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.42 -42.97 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.982 . . . . 0.0 109.705 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.51 -44.04 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.147 -0.97 . . . . 0.0 109.356 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.64 -39.37 88.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.208 -0.932 . . . . 0.0 108.775 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.14 -47.31 85.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.46 -0.775 . . . . 0.0 109.358 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.92 -44.33 97.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.551 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.19 90.15 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.374 -0.829 . . . . 0.0 109.741 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.2 -46.59 88.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.35 -0.844 . . . . 0.0 108.883 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.582 HD13 ' OE1' ' A' ' 10' ' ' GLU . 86.0 mt -63.3 -42.93 99.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.42 -0.8 . . . . 0.0 109.503 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' B' ' 52' ' ' ARG . 25.7 tpt85 -64.47 -40.65 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.382 -0.824 . . . . 0.0 109.349 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -61.07 -18.2 56.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.465 -0.772 . . . . 0.0 109.509 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.425 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 98.4 mttt -91.04 2.81 56.04 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 108.951 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.65 1.52 65.89 Favored Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -63.33 137.35 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -1.203 . . . . 0.0 109.173 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' B' ' 57' ' ' ASP . 10.3 p-10 -83.91 90.12 7.34 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.005 0.907 . . . . 0.0 110.816 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 3.9 mm? -86.21 -13.09 47.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.034 -1.041 . . . . 0.0 108.413 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 8.9 p-10 -67.72 -48.88 65.25 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.863 . . . . 0.0 109.61 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.42 91.47 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.14 -47.63 85.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.289 -0.882 . . . . 0.0 109.543 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.79 -38.26 89.96 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.762 -0.586 . . . . 0.0 110.072 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -55.94 -40.07 72.61 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.523 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -69.24 -36.15 76.86 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.126 -0.984 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.81 -1.181 . . . . 0.0 110.766 -178.765 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.604 0.716 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.82 -41.54 95.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.562 -0.711 . . . . 0.0 110.279 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.9 m -57.51 -34.35 68.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.344 -0.847 . . . . 0.0 110.299 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -62.63 -40.3 96.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 0.0 110.06 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -64.91 -41.25 95.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.647 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.15 -42.35 99.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.249 -0.907 . . . . 0.0 109.235 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.16 -45.38 88.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 109.875 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.47 -47.42 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.0 110.035 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.86 -43.92 97.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.302 -0.874 . . . . 0.0 109.973 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -60.36 -44.35 95.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.073 -1.017 . . . . 0.0 108.822 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.99 -42.96 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.514 -0.742 . . . . 0.0 109.182 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.792 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.9 mt -85.66 -4.13 59.08 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p 42.1 59.17 2.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.679 -0.638 . . . . 0.0 110.041 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.96 142.13 30.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.455 -0.778 . . . . 0.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 p -82.14 136.68 35.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.464 -0.773 . . . . 0.0 110.428 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -65.41 -36.04 82.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.576 -0.702 . . . . 0.0 109.549 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.72 -46.9 85.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.883 . . . . 0.0 109.944 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.8 t -61.81 -45.18 94.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.911 . . . . 0.0 109.625 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -67.48 -42.67 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.309 -0.869 . . . . 0.0 109.666 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.69 90.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.0 110.407 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.76 -37.65 86.92 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.104 -0.997 . . . . 0.0 109.589 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.14 -44.19 60.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.06 -1.025 . . . . 0.0 109.418 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.37 -39.25 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.51 26.86 9.58 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -127.83 168.37 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.45 -1.029 . . . . 0.0 110.137 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 154.99 41.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.765 . . . . 0.0 110.117 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -61.72 -43.05 99.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.528 -0.733 . . . . 0.0 109.57 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.9 -36.7 85.2 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.177 -0.952 . . . . 0.0 108.957 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.09 -37.01 85.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.37 -0.831 . . . . 0.0 108.796 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 18' ' ' ALA . 13.7 tp -60.97 -44.77 96.85 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.221 -0.925 . . . . 0.0 108.68 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.87 -33.55 74.97 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.863 0.84 . . . . 0.0 108.98 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.93 -36.52 84.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.663 -0.648 . . . . 0.0 110.327 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -43.45 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.955 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.579 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -64.81 -36.87 85.74 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.493 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -107.74 38.53 2.14 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p -82.46 -92.02 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.526 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -166.54 -143.57 0.06 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.38 -0.825 . . . . 0.0 110.041 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 p -72.13 166.4 22.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.285 -0.884 . . . . 0.0 110.65 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.04 151.6 47.15 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.58 -0.7 . . . . 0.0 109.696 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.16 150.35 59.55 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.583 2.189 . . . . 0.0 112.762 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' B' ' 35' ' ' ILE . 7.1 p -63.86 -16.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.534 -0.729 . . . . 0.0 109.793 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.9 t -59.32 -42.56 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.592 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.37 -42.38 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.684 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CD ' ' SD ' ' B' ' 25' ' ' MET . 63.9 mttp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.961 -1.087 . . . . 0.0 109.144 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -54.98 39.09 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.6 mt -46.76 -36.16 3.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.312 -0.868 . . . . 0.0 109.296 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.05 93.52 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.428 -0.795 . . . . 0.0 109.685 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD11 HD21 ' B' ' 7' ' ' LEU . 91.5 mt -63.36 -42.44 98.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.894 . . . . 0.0 109.648 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -65.8 -37.84 87.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -0.909 . . . . 0.0 109.507 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.51 -20.5 55.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 0.0 109.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -90.64 2.97 55.41 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.4 57.86 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' LEU . 56.1 t -67.72 137.87 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -1.133 . . . . 0.0 110.071 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.53 63.23 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.589 0.709 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' VAL . 53.6 tp -65.57 -41.63 92.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.714 . . . . 0.0 109.325 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 28.4 p-10 -60.14 -43.7 95.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.414 -0.804 . . . . 0.0 110.18 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -65.6 -38.29 89.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.098 -1.001 . . . . 0.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 61' ' ' LEU . 4.1 tt -62.44 -52.75 62.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.822 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.61 -42.35 74.48 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.335 -0.853 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -48.78 -43.02 37.56 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 108.82 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -46.02 71.89 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.565 -0.709 . . . . 0.0 109.975 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.145 -0.972 . . . . 0.0 110.444 -179.059 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.584 0.707 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.23 -44.05 96.33 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.449 -0.782 . . . . 0.0 109.693 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -67.82 -35.75 79.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.95 -43.74 97.97 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.138 -0.976 . . . . 0.0 108.606 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.475 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 4.5 mm-40 -69.73 -42.9 73.36 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.64 ' O ' HD23 ' B' ' 7' ' ' LEU . 3.8 tt -57.91 -41.54 82.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.746 . . . . 0.0 109.202 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.03 -39.96 94.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.396 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.28 -46.65 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.188 -0.945 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 6.0 mp0 -66.53 -38.32 86.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.115 -0.991 . . . . 0.0 109.64 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -59.45 -46.89 87.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -0.999 . . . . 0.0 108.797 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.45 -40.65 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.482 -0.761 . . . . 0.0 109.446 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -53.61 -41.82 67.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.373 -0.829 . . . . 0.0 109.427 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -83.74 -8.16 59.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.08 -1.013 . . . . 0.0 108.769 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.468 ' C ' HD22 ' B' ' 16' ' ' LEU . 3.4 t 59.04 61.92 2.0 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.182 0.515 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 15' ' ' SER . 4.2 mm? -110.38 133.0 53.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 121.86 0.838 . . . . 0.0 109.645 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -86.88 154.56 20.76 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.612 0.72 . . . . 0.0 109.675 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.98 82.03 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.511 -0.743 . . . . 0.0 109.274 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.12 -42.39 99.53 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.498 -0.752 . . . . 0.0 109.655 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -60.31 -50.86 71.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.172 -0.955 . . . . 0.0 110.152 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.14 -44.06 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-O 121.718 0.77 . . . . 0.0 109.828 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.23 70.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.494 -0.754 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -67.62 -35.5 79.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.257 -0.902 . . . . 0.0 109.385 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.64 -68.47 0.33 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.423 -0.798 . . . . 0.0 109.235 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.406 ' SD ' ' CD ' ' A' ' 46' ' ' LYS . 68.0 mtm -67.02 -39.09 86.96 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.692 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.46 52.69 2.28 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -122.1 163.56 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.527 -0.984 . . . . 0.0 109.793 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -66.38 146.97 53.96 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.476 -0.765 . . . . 0.0 110.332 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.5 -33.07 72.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.632 -0.668 . . . . 0.0 109.213 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -63.63 -40.83 97.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.918 . . . . 0.0 109.524 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.88 -45.68 88.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.276 -0.89 . . . . 0.0 109.839 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.05 -42.15 97.12 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.205 -0.935 . . . . 0.0 109.374 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -60.64 -34.15 73.84 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.822 0.82 . . . . 0.0 109.124 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 38' ' ' SER . 21.0 t30 -66.21 -33.98 76.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.235 -0.916 . . . . 0.0 110.003 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.421 HD11 ' CG1' ' A' ' 43' ' ' VAL . 96.4 mt -62.15 -46.54 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.997 -1.064 . . . . 0.0 110.199 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -70.07 -23.07 63.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.482 -0.762 . . . . 0.0 109.673 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -107.98 2.84 23.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.535 -0.728 . . . . 0.0 109.507 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 34' ' ' ASN . 21.0 p -63.48 171.55 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.01 -1.056 . . . . 0.0 110.419 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -71.83 -121.29 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.559 -0.713 . . . . 0.0 110.188 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.2 t -92.07 -174.05 3.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.407 -0.808 . . . . 0.0 110.655 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.58 150.95 57.88 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.17 157.38 59.77 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.655 2.236 . . . . 0.0 113.114 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.75 -22.83 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.589 -0.694 . . . . 0.0 110.107 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.0 -43.51 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.116 -0.99 . . . . 0.0 109.6 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 83.7 t -61.6 -43.74 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 109.329 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.39 -40.98 96.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.188 -0.945 . . . . 0.0 108.788 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.46 -46.55 89.6 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.0 0.905 . . . . 0.0 108.634 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.07 -42.28 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 108.971 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.529 -0.732 . . . . 0.0 110.079 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -62.1 -48.88 78.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.11 -0.994 . . . . 0.0 108.644 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.37 -39.94 89.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 109.497 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.09 -41.8 98.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.413 -0.804 . . . . 0.0 109.912 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 36.0 t -59.13 -17.83 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.639 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -94.19 -1.23 54.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 108.964 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.52 25.54 60.78 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' B' ' 58' ' ' LEU . 59.3 t -67.14 136.87 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.127 -1.219 . . . . 0.0 109.664 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 82.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.617 0.722 . . . . 0.0 109.712 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 56' ' ' VAL . 54.2 tp -91.54 -50.72 5.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.563 -0.71 . . . . 0.0 110.273 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -60.94 -41.27 95.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.877 . . . . 0.0 109.914 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.14 91.98 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 109.438 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.34 -48.11 82.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.433 -0.792 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' B' ' 63' ' ' ASP . 9.7 m-85 -69.58 -42.23 74.74 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.535 -0.728 . . . . 0.0 109.77 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 62' ' ' PHE . 33.0 t70 -40.25 -45.47 2.08 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.453 0.644 . . . . 0.0 109.963 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -69.73 -42.51 73.88 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.563 -0.71 . . . . 0.0 109.381 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.203 -0.936 . . . . 0.0 109.949 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.634 0.731 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.429 -0.794 . . . . 0.0 109.499 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -58.13 -36.76 73.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.86 -40.59 97.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.588 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -62.04 -44.65 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 0.0 109.789 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.11 -42.61 99.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.029 -1.044 . . . . 0.0 109.227 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.755 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.08 -45.31 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.447 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -64.84 -34.71 79.03 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.267 -0.896 . . . . 0.0 108.915 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' SER . 51.0 ttp180 -61.11 -47.32 86.84 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.93 -42.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 121.349 0.595 . . . . 0.0 109.51 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -54.71 -45.27 74.01 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.55 -0.17 38.27 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.209 -0.932 . . . . 0.0 108.499 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.0 t 45.16 79.82 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.517 -0.739 . . . . 0.0 109.738 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD22 ' NZ ' ' B' ' 54' ' ' LYS . 76.4 mt -104.82 132.98 50.39 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.452 -0.78 . . . . 0.0 109.424 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -79.93 135.02 36.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.381 -0.824 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.36 84.99 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.503 -0.748 . . . . 0.0 109.816 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.09 -45.51 93.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.277 -0.889 . . . . 0.0 109.683 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -61.33 -46.29 90.89 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.304 -0.873 . . . . 0.0 110.105 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.48 -46.09 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.331 -0.855 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.53 93.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.91 . . . . 0.0 110.078 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.63 -46.91 62.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 110.431 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.98 -35.82 72.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 110.205 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -62.62 -38.37 89.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.895 . . . . 0.0 109.32 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.73 9.42 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -126.52 162.25 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.975 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -65.12 154.23 38.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.437 -0.789 . . . . 0.0 110.263 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -63.08 -38.98 93.36 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.73 -40.37 97.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.284 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.89 -40.4 95.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.59 -39.9 95.57 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 0.0 109.109 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.5 m -56.21 -38.86 71.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.99 -41.49 98.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.333 -0.854 . . . . 0.0 109.269 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.93 -42.83 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.0 109.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.02 -39.19 93.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.231 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.72 6.81 48.0 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.841 -1.162 . . . . 0.0 109.063 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -62.23 122.59 16.0 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.296 -0.877 . . . . 0.0 109.886 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -109.78 -7.35 15.06 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -114.05 123.13 48.91 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.34 152.88 37.95 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.367 -0.833 . . . . 0.0 109.568 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.54 159.63 50.73 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.77 2.313 . . . . 0.0 112.88 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.89 -16.99 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.267 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.81 -44.86 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.96 -44.34 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.155 -0.966 . . . . 0.0 109.32 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.9 -40.97 97.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.0 109.254 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.78 -44.49 96.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.113 -0.992 . . . . 0.0 108.359 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.18 -43.14 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.547 -0.72 . . . . 0.0 109.476 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.37 75.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 109.343 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -61.41 -44.75 96.6 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.436 -0.79 . . . . 0.0 108.898 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD11 HD11 ' B' ' 7' ' ' LEU . 96.1 mt -63.42 -40.53 97.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.261 -0.9 . . . . 0.0 108.95 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -61.16 -40.49 94.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.556 -0.715 . . . . 0.0 109.655 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.0 p -60.36 -21.16 61.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -93.32 -1.93 55.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.019 -1.051 . . . . 0.0 108.788 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 73.31 40.01 50.14 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 120.112 -1.042 . . . . 0.0 110.55 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.95 -18.08 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.925 -1.338 . . . . 0.0 109.249 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.5 m-20 63.57 56.14 1.64 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.583 0.706 . . . . 0.0 109.706 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.627 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -64.96 -39.32 93.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 179.586 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 3.9 p-10 -39.57 -39.37 0.72 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.657 -0.652 . . . . 0.0 110.33 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.86 94.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.212 -0.93 . . . . 0.0 109.368 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' LEU . 96.7 mt -64.29 -43.42 94.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -64.01 -40.45 96.38 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.508 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.17 -34.98 75.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.456 -0.778 . . . . 0.0 109.127 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -67.02 -21.78 65.92 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 109.952 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 N--CA 1.491 1.586 0 O-C-N 120.882 -1.136 . . . . 0.0 109.374 179.537 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' B' ' 5' ' ' ASN . 15.1 pt-20 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.417 0.627 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.89 -41.19 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.48 -0.762 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -60.0 -34.41 73.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.967 -1.083 . . . . 0.0 109.11 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ASN . . . . . 0.462 ' H ' ' HG3' ' B' ' 2' ' ' GLU . 25.0 t-20 -65.28 -40.72 94.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.497 -0.752 . . . . 0.0 109.323 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.95 -36.26 82.85 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.287 -0.883 . . . . 0.0 109.171 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.4 HD11 HD11 ' A' ' 51' ' ' LEU . 55.5 tp -62.58 -42.83 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.531 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -38.06 88.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 109.378 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.86 -42.93 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.281 -0.887 . . . . 0.0 109.134 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.458 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 89.4 mt-10 -55.45 -41.77 73.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.297 -0.877 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 15' ' ' SER . 10.5 ttp180 -60.39 -47.07 87.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.366 -0.834 . . . . 0.0 108.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.51 -42.69 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' B' ' 13' ' ' ARG . 41.8 ttt-85 -56.76 -45.72 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.479 -0.763 . . . . 0.0 109.337 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' B' ' 15' ' ' SER . 96.5 mt -98.41 1.55 46.98 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 36.82 76.01 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.74 160.03 21.35 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.759 0.79 . . . . 0.0 110.026 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -97.08 126.05 41.97 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.83 82.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.58 -0.7 . . . . 0.0 109.544 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -63.92 -43.06 97.03 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -50.11 73.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 110.129 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.41 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 85.8 t -68.56 -45.18 82.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 110.091 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.296 -0.877 . . . . 0.0 110.552 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.53 -45.56 82.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.261 -0.899 . . . . 0.0 109.895 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.25 -43.64 73.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.519 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.41 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 91.5 mtp -66.18 -39.66 89.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 109.733 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.39 33.3 4.26 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -130.29 165.7 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.419 -1.048 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -79.17 167.99 20.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.82 . . . . 0.0 110.534 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' B' ' 29' ' ' ARG . 50.2 mtm-85 -64.93 -36.94 85.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.57 -0.706 . . . . 0.0 109.342 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.78 -48.07 78.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.27 -0.894 . . . . 0.0 110.217 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.14 -41.65 88.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 0.0 109.082 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.91 -39.71 94.79 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.397 -0.814 . . . . 0.0 109.21 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 t -58.91 -32.29 69.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.0 109.083 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.19 -39.03 89.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.224 -0.923 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -44.54 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.321 -0.862 . . . . 0.0 110.64 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -78.24 -15.08 59.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.892 -1.13 . . . . 0.0 108.995 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -98.63 11.82 37.27 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.8 142.77 52.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.858 . . . . 0.0 110.535 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -104.68 -36.96 7.27 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.6 p -131.88 156.58 45.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.554 -0.716 . . . . 0.0 109.529 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.71 151.95 38.79 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.43 160.5 49.55 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.64 2.227 . . . . 0.0 112.728 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.43 -19.38 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.0 109.131 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.17 -44.97 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.331 -0.856 . . . . 0.0 109.116 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.34 -44.2 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.317 -0.864 . . . . 0.0 109.049 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.81 -41.34 97.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.838 . . . . 0.0 109.236 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.97 -44.28 97.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.32 -0.863 . . . . 0.0 109.183 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.517 HG23 HD21 ' B' ' 58' ' ' LEU . 94.4 mt -63.18 -43.5 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.61 -34.6 75.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.424 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.02 -49.01 79.33 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.347 -0.846 . . . . 0.0 108.85 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.78 -39.16 87.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.529 -0.732 . . . . 0.0 109.121 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' B' ' 52' ' ' ARG . 29.0 ttp180 -61.94 -41.19 97.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.3 -0.875 . . . . 0.0 109.501 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -62.79 -18.52 62.83 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.025 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.631 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 99.3 mttt -90.37 4.2 51.55 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.31 78.57 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.587 ' O ' ' N ' ' B' ' 58' ' ' LEU . 51.0 t -64.56 145.55 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.055 -1.262 . . . . 0.0 109.526 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.3 72.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.571 0.701 . . . . 0.0 109.528 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -69.01 -43.07 75.54 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.57 0.7 . . . . 0.0 110.618 -178.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.76 -41.1 97.24 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.93 81.96 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.47 -0.769 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.41 -50.71 72.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.074 -1.016 . . . . 0.0 110.1 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.24 -40.05 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.242 -0.911 . . . . 0.0 110.651 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.48 ' HB3' HH21 ' B' ' 64' ' ' ARG . 16.4 t0 -62.47 -38.46 89.92 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.519 -0.738 . . . . 0.0 110.431 -178.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ARG . . . . . 0.575 ' CA ' ' HE ' ' B' ' 64' ' ' ARG . 0.0 OUTLIER -58.92 -16.08 15.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.908 -1.12 . . . . 0.0 108.358 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mm . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.0 109.228 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -79.82 -173.19 3.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.193 -0.942 . . . . 0.0 109.661 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.41 -43.06 99.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.424 -0.797 . . . . 0.0 109.834 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -75.71 -33.51 60.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.824 -1.173 . . . . 0.0 109.97 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -63.4 -45.62 90.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.094 -1.003 . . . . 0.0 110.096 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -69.32 -34.5 74.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.113 -0.992 . . . . 0.0 108.958 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 5.4 tp -60.75 -33.48 72.99 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -74.49 -36.53 63.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.46 -46.55 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.328 -0.858 . . . . 0.0 110.509 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 22.2 pt-20 -65.19 -42.34 93.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.7 -1.25 . . . . 0.0 109.144 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 15' ' ' SER . 42.8 ttm180 -62.6 -47.17 84.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.886 -1.134 . . . . 0.0 109.148 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.58 -43.34 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.419 -0.801 . . . . 0.0 109.98 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -59.58 -43.64 93.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.387 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.0 -4.16 47.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 108.781 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 11' ' ' ARG . 34.7 t 45.14 78.68 0.06 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.376 -0.828 . . . . 0.0 110.048 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.1 mt -112.33 133.22 54.55 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.427 -0.796 . . . . 0.0 109.3 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 21' ' ' VAL . 12.3 p -85.61 159.44 19.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.191 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.22 -38.59 75.28 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.61 -48.18 73.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.51 -0.744 . . . . 0.0 109.877 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.7 t -63.28 -44.91 93.76 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.099 -1.0 . . . . 0.0 109.365 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 17' ' ' THR . 73.8 t -66.23 -43.75 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.444 -0.785 . . . . 0.0 110.161 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.8 99.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.074 -1.016 . . . . 0.0 110.35 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.91 -43.2 79.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.799 -1.188 . . . . 0.0 109.466 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.1 -43.51 78.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.183 -0.948 . . . . 0.0 109.381 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 86.1 mmm -66.08 -39.31 89.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -0.793 . . . . 0.0 109.548 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.1 26.97 14.53 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.3 164.9 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.688 -0.889 . . . . 0.0 109.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -73.72 155.31 39.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -63.89 -34.95 79.09 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.26 -41.02 87.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 109.145 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.07 -38.76 92.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.303 -0.873 . . . . 0.0 108.923 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.86 -42.0 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.41 -0.807 . . . . 0.0 109.008 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.9 m -62.13 -33.81 75.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.51 -38.82 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.81 -43.25 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 108.996 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HG2' HH22 ' A' ' 11' ' ' ARG . 98.4 mt-10 -63.84 -35.3 80.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.511 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -89.48 6.82 39.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.244 -0.91 . . . . 0.0 109.657 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -65.03 159.42 23.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 109.286 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.7 pm0 -108.51 118.94 38.08 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.657 0.741 . . . . 0.0 109.575 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 39' ' ' GLU . 20.5 p 46.2 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.528 0.68 . . . . 0.0 110.29 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.37 146.3 37.51 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.339 -0.85 . . . . 0.0 109.092 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.51 159.43 42.97 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.392 2.061 . . . . 0.0 111.956 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 m -62.87 -28.26 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.342 -0.849 . . . . 0.0 109.742 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.73 -46.93 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.187 -0.946 . . . . 0.0 109.271 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.72 -43.02 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 0.0 109.519 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.37 -41.11 96.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.85 . . . . 0.0 109.313 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.22 -44.3 97.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.44 -42.74 96.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.352 -0.842 . . . . 0.0 109.319 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -33.64 67.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.976 . . . . 0.0 108.715 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CE2' HG22 ' B' ' 21' ' ' VAL . 29.4 t80 -61.86 -43.89 97.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.377 -0.827 . . . . 0.0 109.302 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 2.4 mm? -61.33 -40.26 93.58 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.13 -0.981 . . . . 0.0 108.906 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.529 HH22 HH22 ' B' ' 52' ' ' ARG . 15.9 ttm180 -62.81 -38.76 91.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.01 -1.056 . . . . 0.0 108.652 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -58.39 -19.09 32.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.201 -0.937 . . . . 0.0 109.043 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -91.71 5.26 50.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.336 -0.852 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.82 18.18 70.84 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.76 134.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.963 -1.316 . . . . 0.0 109.741 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.91 70.94 0.51 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.283 -0.885 . . . . 0.0 109.43 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.49 -41.99 98.54 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.463 -0.773 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -59.67 -42.82 93.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.74 76.48 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.131 -0.98 . . . . 0.0 109.064 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.1 -48.95 79.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.854 . . . . 0.0 109.892 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.68 -35.04 74.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.993 -1.067 . . . . 0.0 109.835 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.95 -35.1 74.24 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.98 -40.65 91.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.642 -0.661 . . . . 0.0 110.158 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.78 -44.52 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.312 -0.868 . . . . 0.0 110.633 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.1 pt -78.49 150.14 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.939 -1.1 . . . . 0.0 110.844 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 68' ' ' ASN . 39.4 t 56.9 160.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 121.465 0.65 . . . . 0.0 110.458 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.481 ' N ' HG12 ' A' ' 67' ' ' VAL . 6.4 m120 -46.43 162.21 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.477 -0.765 . . . . 0.0 109.57 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.72 104.59 1.08 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 108.841 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 70' ' ' LEU . 2.2 pp -87.89 127.58 35.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.659 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 72' ' ' HIS . 0.4 OUTLIER -151.48 -61.34 0.17 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.248 -0.908 . . . . 0.0 109.251 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.56 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 73.9 m-70 37.33 26.88 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.585 -0.697 . . . . 0.0 110.636 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLU . 12.1 t-80 -90.16 127.31 36.07 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.205 -0.934 . . . . 0.0 110.597 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -146.79 2.25 0.81 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 76' ' ' HIS . 37.3 t-80 -84.55 175.29 9.37 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.478 0.656 . . . . 0.0 109.65 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.615 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 36.3 m80 -70.6 147.46 49.2 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.327 -0.858 . . . . 0.0 109.548 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.4 m80 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.715 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.452 ' O ' ' O ' ' B' ' 2' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' B' ' 1' ' ' MET . 47.4 mt-10 57.05 121.68 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.731 0.776 . . . . 0.0 110.444 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.59 -41.96 99.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.6 m -59.5 -41.07 89.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.67 -41.22 98.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.63 -35.45 78.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.203 -0.935 . . . . 0.0 109.807 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.0 -44.38 97.49 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -66.21 -39.39 89.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.196 -0.94 . . . . 0.0 110.006 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.585 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.1 -39.21 93.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.098 -1.001 . . . . 0.0 109.19 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.433 HH22 ' CB ' ' B' ' 36' ' ' GLU . 32.8 ttm180 -61.64 -45.3 94.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.0 108.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.27 -43.7 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.294 0.569 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -61.8 -41.39 97.69 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' B' ' 15' ' ' SER . 94.3 mt -85.95 -8.26 58.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.1 p 40.3 48.05 2.27 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.432 0.634 . . . . 0.0 109.488 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.64 159.81 26.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.371 -0.83 . . . . 0.0 110.174 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -105.51 134.41 48.66 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.754 0.787 . . . . 0.0 109.935 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -23.2 66.85 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 0.0 109.395 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.92 -46.16 91.77 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.487 -0.758 . . . . 0.0 109.273 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -72.55 -41.37 65.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.392 -0.817 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 50' ' ' PHE . 94.7 t -62.58 -46.55 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 0.0 110.66 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.12 89.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.929 -1.107 . . . . 0.0 110.191 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.13 -44.9 82.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.876 -1.14 . . . . 0.0 109.154 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.17 -40.8 64.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.341 -0.85 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.55 -39.92 92.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.173 -0.954 . . . . 0.0 109.453 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.9 29.09 16.43 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.67 166.78 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.433 -1.04 . . . . 0.0 109.758 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -69.17 149.26 48.81 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 108.89 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.46 -36.04 82.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 109.051 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -58.96 -42.18 89.24 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.11 -34.02 77.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 109.339 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.73 -43.16 94.3 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.56 -37.53 86.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -68.55 -29.82 68.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.284 -0.885 . . . . 0.0 110.492 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.7 -44.79 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.796 -1.19 . . . . 0.0 109.346 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.433 ' CB ' HH22 ' B' ' 11' ' ' ARG . 8.8 pt-20 -69.84 -35.55 74.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.979 -1.076 . . . . 0.0 109.167 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' B' ' 39' ' ' GLU . 75.2 mt-30 -90.49 13.53 15.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.178 -0.951 . . . . 0.0 109.381 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.513 ' O ' ' N ' ' B' ' 40' ' ' THR . 88.7 p -68.5 34.69 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.157 -0.965 . . . . 0.0 110.115 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 37' ' ' GLN . 53.0 mt-10 53.16 -86.53 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.241 -0.912 . . . . 0.0 110.412 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' SER . 9.3 t -131.9 168.08 18.49 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.397 -0.815 . . . . 0.0 109.767 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.99 155.91 77.26 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.384 -0.822 . . . . 0.0 109.085 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.93 160.72 46.97 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.631 2.221 . . . . 0.0 112.11 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.5 -18.4 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.403 -0.81 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.49 -44.6 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.268 -0.895 . . . . 0.0 108.93 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.61 -44.58 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.33 -0.856 . . . . 0.0 108.901 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.23 -40.32 97.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.84 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.42 -41.18 88.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.876 . . . . 0.0 109.039 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.34 -43.15 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.366 -0.834 . . . . 0.0 109.035 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.54 74.73 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.218 -0.926 . . . . 0.0 109.162 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 17.6 t80 -61.11 -49.81 75.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' B' ' 51' ' ' LEU . 3.3 mm? -66.49 -39.82 88.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 109.081 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.529 HH22 HH22 ' A' ' 52' ' ' ARG . 40.0 ttt180 -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.344 -0.848 . . . . 0.0 108.989 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -57.21 -20.2 25.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.482 -0.761 . . . . 0.0 109.65 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 59.2 mttp -90.34 8.45 33.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 109.236 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.85 19.67 65.02 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 58' ' ' LEU . 79.3 t -69.4 134.45 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.051 -1.264 . . . . 0.0 109.681 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 70.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.581 -0.699 . . . . 0.0 110.428 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' B' ' 56' ' ' VAL . 49.9 tp -63.62 -42.6 98.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.081 -1.012 . . . . 0.0 109.78 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -59.56 -41.99 91.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.156 -0.965 . . . . 0.0 109.792 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.017 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -46.97 86.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.425 -0.797 . . . . 0.0 109.545 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.35 -33.64 71.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.146 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.08 -41.13 91.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.147 -0.971 . . . . 0.0 109.761 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -64.64 -37.35 87.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.404 -0.81 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.08 -43.67 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.848 -1.158 . . . . 0.0 109.976 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' B' ' 67' ' ' VAL . 22.8 pt -75.18 140.97 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.087 -1.008 . . . . 0.0 109.89 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.835 HG22 ' H ' ' B' ' 68' ' ' ASN . 12.8 p -48.1 -177.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.57 0.7 . . . . 0.0 110.718 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.835 ' H ' HG22 ' B' ' 67' ' ' VAL . 5.7 t-20 60.14 44.22 13.2 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.178 -0.952 . . . . 0.0 109.211 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.44 ' HD3' ' H ' ' B' ' 69' ' ' LYS . 1.9 mppt? -58.26 155.87 10.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.285 -0.885 . . . . 0.0 109.685 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 59.9 mt -66.85 141.1 57.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.874 . . . . 0.0 109.425 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -98.23 -161.26 0.86 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.382 -0.823 . . . . 0.0 109.589 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 120.8 25.46 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.289 -0.882 . . . . 0.0 109.445 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.14 -0.64 57.71 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.131 -0.98 . . . . 0.0 108.933 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 69.07 12.77 8.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.709 -0.619 . . . . 0.0 109.989 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -113.63 133.83 55.07 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.426 -0.796 . . . . 0.0 108.949 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.473 ' C ' ' CG ' ' B' ' 77' ' ' HIS . 32.8 m170 -63.36 -85.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.848 . . . . 0.0 109.979 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.473 ' CG ' ' C ' ' B' ' 76' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 118.016 -0.992 . . . . 0.0 108.923 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 5' ' ' ASN . 3.9 pt-20 -176.31 -116.27 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.55 -0.719 . . . . 0.0 109.303 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.46 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 9.0 tp -41.54 -36.8 0.97 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.531 -0.73 . . . . 0.0 109.722 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.7 m -79.35 -32.68 43.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.965 -1.085 . . . . 0.0 109.884 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.606 ' O ' HG23 ' A' ' 9' ' ' VAL . 43.2 t30 -63.62 -47.15 82.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.131 -0.98 . . . . 0.0 109.998 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -44.92 77.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.278 -0.888 . . . . 0.0 108.855 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.68 -45.58 86.03 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.923 . . . . 0.0 110.192 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.55 -36.41 83.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 109.923 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 5' ' ' ASN . 23.3 t -61.63 -43.07 96.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.34 -0.85 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.23 -36.53 82.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.772 -1.205 . . . . 0.0 109.15 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.64 -42.43 99.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.082 -1.011 . . . . 0.0 109.625 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.83 -51.77 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.164 -0.96 . . . . 0.0 109.898 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' NH2' ' CG1' ' A' ' 9' ' ' VAL . 25.3 mtm-85 -67.36 -38.49 84.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.373 -0.829 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.29 -2.34 52.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.213 -0.93 . . . . 0.0 108.611 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.461 ' C ' HD12 ' A' ' 16' ' ' LEU . 36.1 t 53.6 73.5 0.37 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.543 -0.723 . . . . 0.0 110.064 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.531 HD11 ' NZ ' ' B' ' 54' ' ' LYS . 8.3 mp -114.63 143.39 45.09 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.63 -0.669 . . . . 0.0 109.693 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.8 p -119.28 153.06 35.64 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.39 93.67 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.51 -0.744 . . . . 0.0 109.425 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -66.3 -47.11 74.66 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.389 -0.819 . . . . 0.0 110.289 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.242 -0.911 . . . . 0.0 110.195 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.52 -44.79 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.279 -0.888 . . . . 0.0 109.734 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.29 74.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 0.0 110.178 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.82 -35.16 76.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.308 -0.87 . . . . 0.0 109.598 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.9 -51.82 17.09 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.239 -0.913 . . . . 0.0 109.817 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mtp -65.94 -39.6 90.63 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.279 -0.888 . . . . 0.0 109.607 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.89 33.49 5.24 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -125.94 161.23 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.388 -1.066 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -75.16 158.8 32.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.388 -0.82 . . . . 0.0 110.286 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 29' ' ' ARG . 31.0 mtp-105 -63.63 -37.07 85.95 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.47 -0.769 . . . . 0.0 109.332 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.27 -41.19 79.24 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.142 -0.974 . . . . 0.0 109.286 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.38 -38.98 91.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.865 . . . . 0.0 109.237 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.08 -42.65 99.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.477 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.0 -36.45 84.03 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.45 -0.781 . . . . 0.0 109.704 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -63.29 -35.68 81.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.298 -0.876 . . . . 0.0 109.233 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.76 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.199 -0.938 . . . . 0.0 109.118 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -62.99 -35.33 79.84 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.078 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.15 39.11 1.25 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.894 . . . . 0.0 108.892 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' THR . 77.9 p -70.01 -13.02 62.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 108.988 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 54.16 -85.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.376 -0.827 . . . . 0.0 110.291 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' SER . 10.3 t -96.27 158.52 15.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.069 -1.02 . . . . 0.0 109.85 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 127.44 34.75 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.303 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -47.89 145.68 9.76 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.101 1.868 . . . . 0.0 113.542 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.95 -30.22 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 109.243 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.32 -32.67 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.238 -0.914 . . . . 0.0 109.66 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -62.26 -47.43 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.133 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.94 -35.58 81.6 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.343 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.15 -41.77 72.23 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.193 -1.039 . . . . 0.0 108.193 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.43 -43.73 98.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.531 -0.73 . . . . 0.0 109.034 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.31 80.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 0.0 109.467 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 78.2 t80 -60.03 -44.34 94.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.425 -0.797 . . . . 0.0 109.612 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.25 -41.26 98.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.393 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -62.29 -32.24 72.93 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.236 -0.915 . . . . 0.0 109.151 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -57.84 -21.77 44.32 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.131 -0.981 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 14.8 mptt -97.14 2.41 51.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.898 . . . . 0.0 108.629 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.75 49.48 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.44 136.9 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.344 . . . . 0.0 109.742 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.7 88.34 2.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.654 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.2 tp -80.03 -27.66 39.45 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.484 -0.76 . . . . 0.0 109.561 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 6.9 m120 -61.79 -41.87 98.28 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.395 -0.816 . . . . 0.0 109.908 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.8 94.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.984 -1.073 . . . . 0.0 109.074 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.07 -46.26 81.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.287 -0.883 . . . . 0.0 109.782 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.8 -37.59 79.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.6 -0.688 . . . . 0.0 109.569 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 70.5 m-20 -59.94 -45.99 90.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.212 -0.93 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -67.06 -44.18 80.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.175 -0.953 . . . . 0.0 109.583 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.1 -43.19 95.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 67' ' ' VAL . 96.7 mt -74.46 123.69 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.073 -1.017 . . . . 0.0 110.008 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 66' ' ' ILE . 15.4 m -157.61 115.01 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.514 -0.741 . . . . 0.0 109.029 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -71.26 112.54 7.48 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.407 -0.808 . . . . 0.0 110.042 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.73 150.94 22.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.381 -0.825 . . . . 0.0 110.204 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.3 mt -86.31 -5.42 59.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.382 -0.824 . . . . 0.0 109.088 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -89.2 120.14 30.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.248 -0.907 . . . . 0.0 110.054 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.533 ' ND1' ' N ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -88.77 -90.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.599 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.451 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 71.1 m80 47.08 -118.8 0.92 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.44 -0.788 . . . . 0.0 110.397 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 45.12 49.18 9.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.366 -0.834 . . . . 0.0 108.945 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -65.64 -44.27 86.94 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.582 -0.699 . . . . 0.0 109.787 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -121.83 128.92 52.2 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.638 -0.664 . . . . 0.0 109.715 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.428 ' O ' ' ND1' ' A' ' 77' ' ' HIS . 58.5 t-80 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.828 -1.082 . . . . 0.0 109.823 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -173.59 -141.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.359 -0.838 . . . . 0.0 110.077 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -45.49 -43.26 11.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.541 -0.724 . . . . 0.0 109.838 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -62.91 -37.1 85.61 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 110.058 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -62.75 -39.43 94.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 110.043 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.69 -43.87 71.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.535 0.683 . . . . 0.0 109.266 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.91 -41.0 99.29 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.905 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -40.14 94.18 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.458 -0.776 . . . . 0.0 109.985 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.96 -44.18 97.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.141 -0.974 . . . . 0.0 109.212 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.87 -50.35 70.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.46 ' NH1' ' CD ' ' B' ' 36' ' ' GLU . 10.6 ttt180 -65.76 -43.03 90.13 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.425 -0.797 . . . . 0.0 110.219 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.43 -42.9 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.299 -0.876 . . . . 0.0 109.68 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 13' ' ' ARG . 0.6 OUTLIER -57.51 -44.62 85.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.424 -0.798 . . . . 0.0 109.127 -179.06 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.23 -5.88 59.3 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t 47.65 70.58 0.41 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -110.52 135.3 51.4 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.423 -0.798 . . . . 0.0 109.65 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.9 p -76.63 150.16 36.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.316 -0.865 . . . . 0.0 110.254 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.69 86.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.503 -0.748 . . . . 0.0 109.926 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -64.2 -43.5 94.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.042 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -59.53 -45.1 92.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.2 -0.937 . . . . 0.0 109.78 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.65 -43.31 86.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.711 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.84 88.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.453 -0.779 . . . . 0.0 110.63 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -66.05 -37.5 85.98 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.88 -44.82 65.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 76.8 mmm -65.09 -38.95 92.38 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.341 -0.849 . . . . 0.0 109.612 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.98 16.53 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.67 163.39 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.446 -1.032 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 97.3 p -76.13 165.64 24.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.517 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -63.09 -35.68 81.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -57.16 -44.37 83.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.414 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.13 -44.72 83.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.375 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -64.24 -42.48 96.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.442 -0.786 . . . . 0.0 109.626 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.9 m -63.44 -36.05 82.46 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.55 -0.719 . . . . 0.0 109.588 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -62.39 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.59 -43.9 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' B' ' 11' ' ' ARG . 81.2 mt-10 -68.94 -12.81 61.99 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -108.47 -7.87 15.69 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -58.65 144.5 43.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.235 -0.916 . . . . 0.0 110.357 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -118.76 -40.75 2.84 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 53.7 m -111.65 126.82 55.43 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.564 -0.71 . . . . 0.0 109.705 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.83 151.81 39.27 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.502 -0.748 . . . . 0.0 109.401 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.4 153.65 77.26 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.368 2.045 . . . . 0.0 112.875 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 46' ' ' LYS . 14.5 p -63.72 -31.59 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.458 -0.776 . . . . 0.0 109.994 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.466 HG23 ' N ' ' B' ' 45' ' ' VAL . 7.1 m -41.05 -38.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.644 -0.66 . . . . 0.0 109.866 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.466 ' N ' HG23 ' B' ' 44' ' ' VAL . 75.6 t -64.42 -45.02 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.213 -0.929 . . . . 0.0 109.172 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' B' ' 43' ' ' VAL . 99.5 mttt -63.99 -39.43 94.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.301 -0.874 . . . . 0.0 109.403 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -60.12 -41.54 92.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.451 -0.78 . . . . 0.0 109.347 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.86 -42.94 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.34 69.21 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.59 -51.9 66.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.35 -38.41 84.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.354 -0.841 . . . . 0.0 108.866 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -59.68 -37.14 77.99 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.414 -0.804 . . . . 0.0 109.135 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -54.91 -35.81 64.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.432 -0.792 . . . . 0.0 109.378 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.531 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 98.3 mttt -84.38 11.83 7.81 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 109.322 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.28 29.17 70.47 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.16 132.65 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.722 -1.458 . . . . 0.0 109.561 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.5 73.16 5.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.262 -0.899 . . . . 0.0 109.171 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.749 HD12 HD12 ' B' ' 61' ' ' LEU . 7.6 tp -88.07 -9.01 54.67 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -64.95 -42.73 94.36 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.65 90.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.622 -0.674 . . . . 0.0 109.981 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.749 HD12 HD12 ' B' ' 58' ' ' LEU . 84.5 mt -62.43 -42.91 99.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.317 -0.864 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.281 -0.887 . . . . 0.0 109.431 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.25 -34.25 72.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.06 -1.025 . . . . 0.0 108.854 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -61.84 -42.39 98.98 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.72 -44.04 93.39 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 O-C-N 121.618 -0.677 . . . . 0.0 109.762 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.99 87.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.009 -1.057 . . . . 0.0 109.649 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.21 143.52 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.371 -0.831 . . . . 0.0 110.362 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -41.81 138.96 1.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.487 0.66 . . . . 0.0 110.83 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.7 138.56 58.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.508 -0.745 . . . . 0.0 110.257 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' B' ' 71' ' ' GLU . 73.1 mt -68.77 168.79 12.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.512 -0.743 . . . . 0.0 110.315 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' B' ' 70' ' ' LEU . 9.9 tp10 -60.37 -142.43 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.681 -0.637 . . . . 0.0 110.045 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -88.08 110.19 20.45 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.302 -0.874 . . . . 0.0 109.698 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.46 55.42 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -134.84 40.38 2.93 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' B' ' 75' ' ' HIS . 28.1 p-80 -123.45 109.06 13.38 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' B' ' 77' ' ' HIS . 74.9 t60 -173.19 -84.09 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.551 -0.718 . . . . 0.0 109.323 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' B' ' 76' ' ' HIS . 59.8 m80 . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.432 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.2 mmt . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.463 0.649 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -78.25 166.38 22.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.473 -0.767 . . . . 0.0 109.662 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.07 -44.34 96.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -61.75 -43.57 98.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.882 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -62.98 -48.65 77.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.0 110.279 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.604 ' OE1' HD13 ' B' ' 61' ' ' LEU . 1.6 tt0 -71.11 -38.12 72.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 110.08 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.29 -43.39 92.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.204 -0.935 . . . . 0.0 108.798 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.86 -40.5 95.57 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.43 -0.794 . . . . 0.0 108.952 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.07 -46.76 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.0 109.882 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 3.3 mp0 -55.33 -42.73 74.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.226 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -59.46 -46.1 89.74 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.234 -0.916 . . . . 0.0 109.183 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -75.59 -26.71 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.629 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -62.99 -42.35 99.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' OG ' ' A' ' 15' ' ' SER . 84.2 mt -86.84 -1.6 57.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 15' ' ' SER . 6.1 p 65.65 67.73 0.49 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.39 -0.819 . . . . 0.0 110.142 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -116.45 134.52 54.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 p -84.35 156.17 22.0 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.53 65.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.712 -0.618 . . . . 0.0 109.823 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -64.2 -44.27 92.48 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.444 -0.785 . . . . 0.0 110.002 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.478 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 77.8 p -61.85 -46.49 89.24 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 109.638 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.4 t -68.54 -45.14 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.373 -0.83 . . . . 0.0 110.205 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.09 99.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.847 . . . . 0.0 110.533 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -46.44 69.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 110.048 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -68.42 -37.45 80.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.282 -0.886 . . . . 0.0 109.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 70.4 mmm -62.99 -36.72 84.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.95 20.45 16.35 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.41 161.49 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.725 -0.868 . . . . 0.0 109.681 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -69.68 154.81 41.45 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.747 0.784 . . . . 0.0 110.455 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -61.83 -35.82 79.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.346 -0.846 . . . . 0.0 109.3 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.94 -42.14 97.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.302 -0.874 . . . . 0.0 109.096 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.27 -40.32 97.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.263 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -59.73 -36.8 77.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.373 -0.83 . . . . 0.0 109.492 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -61.41 -40.4 94.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.267 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -63.15 -42.92 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.19 -40.5 64.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.41 -0.806 . . . . 0.0 108.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -103.21 38.6 1.73 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.559 -0.713 . . . . 0.0 109.142 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 p -63.36 158.85 19.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.319 -0.863 . . . . 0.0 110.127 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.462 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -108.44 124.17 49.99 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.649 0.738 . . . . 0.0 109.455 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 39' ' ' GLU . 34.0 p 49.0 176.15 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.538 0.685 . . . . 0.0 110.722 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.98 131.28 23.53 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.465 -0.772 . . . . 0.0 109.262 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HG2' HG11 ' B' ' 44' ' ' VAL . 52.0 Cg_exo -48.19 144.27 13.03 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.006 1.804 . . . . 0.0 113.571 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.25 -30.44 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.636 -0.665 . . . . 0.0 109.526 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.25 -33.29 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.207 -0.933 . . . . 0.0 109.384 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.38 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.893 . . . . 0.0 109.253 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.82 -37.04 82.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 108.984 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.59 -40.03 78.11 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.67 -43.2 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.242 -0.911 . . . . 0.0 108.729 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.1 72.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.469 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.61 -47.77 83.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.297 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.6 mm? -64.04 -41.15 97.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.813 . . . . 0.0 109.26 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HE ' HD21 ' A' ' 58' ' ' LEU . 34.5 ttm180 -61.72 -41.35 97.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.293 -0.88 . . . . 0.0 108.939 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 t -56.24 -19.75 15.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.13 4.72 53.34 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.151 -0.968 . . . . 0.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 22.54 59.34 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 51' ' ' LEU . 96.1 t -67.68 132.81 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.462 -1.022 . . . . 0.0 109.436 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -78.32 76.14 4.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.598 -0.689 . . . . 0.0 110.094 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 ' HE ' ' A' ' 52' ' ' ARG . 2.3 pp -90.54 -18.63 24.92 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.8 p-10 -61.24 -42.66 99.0 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.14 77.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.486 -0.759 . . . . 0.0 109.304 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.1 tt -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.456 -0.778 . . . . 0.0 109.315 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -70.48 -34.47 72.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.271 -0.893 . . . . 0.0 109.718 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 29.6 t70 -59.81 -35.03 73.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.403 -0.811 . . . . 0.0 110.03 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -70.0 -38.21 75.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.971 -1.081 . . . . 0.0 109.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.6 mt -79.09 -74.46 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.337 -0.852 . . . . 0.0 110.898 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 67' ' ' VAL . 33.4 mt 48.32 -119.9 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.316 -0.865 . . . . 0.0 109.256 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 66' ' ' ILE . 51.9 t -118.21 133.74 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.509 -0.744 . . . . 0.0 109.844 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 56.82 168.9 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.626 0.727 . . . . 0.0 110.558 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -81.79 157.15 24.58 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.657 0.741 . . . . 0.0 110.499 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' GLU . 69.1 mt -50.73 158.46 0.65 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.879 0.847 . . . . 0.0 110.642 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.498 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -52.39 -172.41 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.737 0.779 . . . . 0.0 110.186 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -47.31 93.62 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 71' ' ' GLU . 30.8 t60 -68.63 135.1 50.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.49 -0.756 . . . . 0.0 110.001 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -78.3 151.58 32.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.493 -0.755 . . . . 0.0 109.535 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.67 128.59 34.5 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.343 -0.848 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -100.25 122.57 43.27 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.339 -0.851 . . . . 0.0 109.978 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.3 t60 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.579 179.316 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -72.98 150.11 42.74 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.553 -0.717 . . . . 0.0 110.176 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.6 mp -63.01 -43.97 97.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 0.0 109.362 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t -59.41 -34.09 72.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.578 -0.701 . . . . 0.0 109.636 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.625 ' O ' HG23 ' B' ' 9' ' ' VAL . 20.8 t-20 -60.24 -36.75 78.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.384 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -77.6 -31.2 52.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.769 -1.207 . . . . 0.0 110.313 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.61 -45.16 95.05 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.018 -1.051 . . . . 0.0 109.99 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -72.96 -38.49 66.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 5' ' ' ASN . 72.4 t -60.79 -51.2 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.349 -0.845 . . . . 0.0 109.997 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.689 -1.257 . . . . 0.0 109.04 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -62.14 -50.0 73.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.373 -0.83 . . . . 0.0 109.083 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.06 -43.68 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.836 -0.54 . . . . 0.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -61.77 -40.55 95.59 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.11 -0.994 . . . . 0.0 109.579 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.3 mt -85.84 -4.93 59.29 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.6 m 38.48 47.19 1.05 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.292 0.568 . . . . 0.0 110.136 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' B' ' 11' ' ' ARG . 2.4 pp -85.0 162.85 19.21 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 109.606 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -90.69 123.96 34.71 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.298 -0.876 . . . . 0.0 110.292 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.71 78.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.616 -0.678 . . . . 0.0 109.68 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.635 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 23.7 mtpp -60.04 -44.73 94.45 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.6 m -62.16 -41.2 98.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.376 -0.827 . . . . 0.0 109.655 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.424 HG12 ' SD ' ' B' ' 25' ' ' MET . 77.5 t -60.98 -48.54 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.889 . . . . 0.0 110.015 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.17 72.06 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.296 -0.878 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -69.74 -55.09 10.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 110.575 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.02 -38.02 78.99 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.135 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.424 ' SD ' HG12 ' B' ' 21' ' ' VAL . 74.2 mtp -63.58 -38.88 92.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.968 -1.083 . . . . 0.0 109.476 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.97 25.84 13.82 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -123.73 161.0 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.546 -0.973 . . . . 0.0 109.544 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 p -75.08 160.0 31.02 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.814 0.816 . . . . 0.0 110.374 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.635 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 6.6 mtm180 -64.49 -34.14 77.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -52.85 -46.44 67.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -0.869 . . . . 0.0 109.138 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.49 -40.91 76.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.61 -45.34 93.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.12 -34.58 77.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.374 -0.829 . . . . 0.0 109.331 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.83 -39.98 91.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.442 -0.786 . . . . 0.0 108.899 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.0 -42.86 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.442 -0.786 . . . . 0.0 109.387 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -58.09 -43.66 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.919 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 16.0 pt20 -96.32 34.92 1.53 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.194 -0.941 . . . . 0.0 109.141 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -70.39 134.0 47.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 110.015 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.15 -70.99 0.66 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.549 -0.719 . . . . 0.0 109.402 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 5.2 t -104.97 131.34 52.61 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.523 -0.736 . . . . 0.0 109.271 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.82 150.25 47.63 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.454 -0.779 . . . . 0.0 109.611 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.501 ' HB2' HG12 ' B' ' 44' ' ' VAL . 38.6 Cg_endo -67.64 155.49 69.9 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.668 2.245 . . . . 0.0 112.927 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.48 -30.08 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.619 -0.675 . . . . 0.0 110.333 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.6 HG11 ' HG2' ' A' ' 42' ' ' PRO . 12.0 p -47.42 -35.13 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 109.319 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.4 ' N ' HG13 ' B' ' 44' ' ' VAL . 86.6 t -65.72 -47.03 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 108.806 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -64.2 -36.79 85.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.022 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -57.82 -41.78 82.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -42.91 97.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.36 77.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.523 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 16.9 t80 -59.78 -48.14 82.87 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.66 -38.06 86.06 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -54.89 -42.35 72.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.396 -0.815 . . . . 0.0 108.996 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 93.3 p -58.12 -30.48 66.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.511 -0.743 . . . . 0.0 109.538 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.523 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 58.7 mttp -85.02 -3.72 58.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.223 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.91 29.66 58.75 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 120.005 -1.093 . . . . 0.0 110.936 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' HB ' HD23 ' B' ' 58' ' ' LEU . 58.4 t -63.66 140.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.929 -1.336 . . . . 0.0 109.222 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.61 54.13 0.06 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.707 -0.621 . . . . 0.0 111.952 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.421 HD23 ' HB ' ' B' ' 56' ' ' VAL . 4.0 mm? -65.69 -39.08 90.91 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.967 -1.083 . . . . 0.0 109.314 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -52.93 -44.91 67.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.38 79.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.713 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.604 HD13 ' OE1' ' A' ' 6' ' ' GLU . 53.6 tp -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.224 -0.922 . . . . 0.0 109.549 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.418 ' HB2' HH12 ' A' ' 52' ' ' ARG . 18.1 m-85 -68.36 -45.09 73.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.665 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' B' ' 66' ' ' ILE . 85.5 m-20 -53.92 -30.73 47.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 109.628 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.07 -20.74 55.41 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' B' ' 62' ' ' PHE . 96.7 mt -96.42 -26.7 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.643 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' B' ' 63' ' ' ASP . 87.1 mt -63.54 -43.65 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.074 -1.016 . . . . 0.0 109.738 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 t -74.7 -123.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.905 . . . . 0.0 109.684 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -171.16 -167.47 0.55 Allowed 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.291 -0.88 . . . . 0.0 109.527 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.402 ' C ' ' OE2' ' B' ' 71' ' ' GLU . 72.2 mmtt -87.45 34.52 0.7 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.46 -0.775 . . . . 0.0 109.655 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.529 ' C ' HD23 ' B' ' 70' ' ' LEU . 3.9 tt -118.05 113.3 21.42 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.581 -0.699 . . . . 0.0 109.273 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.509 ' N ' HD23 ' B' ' 70' ' ' LEU . 0.4 OUTLIER -166.18 31.31 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 56.19 55.61 6.59 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.366 0.603 . . . . 0.0 109.494 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.554 ' C ' ' H ' ' B' ' 75' ' ' HIS . 26.8 t-80 -64.93 -39.95 94.3 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' B' ' 75' ' ' HIS . 59.9 m-70 53.63 2.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.884 -0.51 . . . . 0.0 110.098 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.554 ' H ' ' C ' ' B' ' 73' ' ' HIS . 5.7 t-80 36.21 78.97 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.758 -0.589 . . . . 0.0 110.353 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.66 145.27 25.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.137 -0.977 . . . . 0.0 109.465 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.438 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mmm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HG2' ' H ' ' A' ' 5' ' ' ASN . 2.3 pt-20 -64.73 -176.13 0.23 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.572 -0.705 . . . . 0.0 109.893 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.2 -44.0 96.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t -66.32 -28.25 68.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.296 -0.877 . . . . 0.0 110.493 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.469 ' H ' ' HG2' ' A' ' 2' ' ' GLU . 16.3 t-20 -62.88 -48.07 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 0.0 110.215 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.43 -31.34 71.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.59 -37.81 85.25 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -71.41 -34.26 70.17 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.055 -1.028 . . . . 0.0 110.008 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.01 -49.07 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.235 -0.916 . . . . 0.0 110.517 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.53 -38.97 85.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.243 -0.911 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 23.6 tpt85 -58.86 -48.02 82.85 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.83 -41.97 88.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.649 -0.657 . . . . 0.0 109.474 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HG3' HH11 ' A' ' 13' ' ' ARG . 1.1 tpt85 -52.5 -44.89 65.95 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.416 -0.802 . . . . 0.0 109.836 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.4 -1.88 58.23 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 108.609 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.4 p 43.02 51.41 5.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.67 -0.643 . . . . 0.0 109.39 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 64.5 mt -80.83 174.1 11.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.47 -0.769 . . . . 0.0 110.216 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -109.17 123.21 48.85 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.617 0.723 . . . . 0.0 109.799 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.7 86.97 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.537 -0.727 . . . . 0.0 109.179 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.97 -42.8 99.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.556 -0.715 . . . . 0.0 109.557 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 t -60.83 -43.88 97.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.321 -0.862 . . . . 0.0 109.686 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.442 HG22 ' CZ ' ' B' ' 50' ' ' PHE . 96.3 t -60.26 -43.4 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 0.0 109.351 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.3 73.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -65.32 -42.89 92.49 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.122 -0.987 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.77 -44.3 61.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 109.423 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 72.3 mmm -64.7 -38.93 92.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.739 -0.6 . . . . 0.0 109.551 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.76 19.7 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -123.69 165.74 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 121.525 -0.985 . . . . 0.0 109.968 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.0 m -67.24 150.94 48.39 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.528 -0.732 . . . . 0.0 110.386 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -61.4 -41.01 96.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.67 -39.68 81.35 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.301 -0.874 . . . . 0.0 109.236 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.79 -45.95 88.7 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.336 -0.853 . . . . 0.0 108.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.86 -41.54 97.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.316 -0.865 . . . . 0.0 109.161 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.01 -33.06 73.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.578 -0.701 . . . . 0.0 109.367 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 38' ' ' SER . 27.9 t-20 -62.23 -38.15 88.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.407 -0.808 . . . . 0.0 109.048 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -43.93 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.432 -0.793 . . . . 0.0 109.052 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.09 -31.74 73.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.374 -0.828 . . . . 0.0 109.402 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -100.12 1.46 42.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.855 . . . . 0.0 109.196 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' ASN . 26.4 t -67.11 150.69 48.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.775 . . . . 0.0 110.472 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 36.8 tt0 -60.34 -127.62 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.414 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -83.01 169.59 15.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.474 -0.766 . . . . 0.0 110.37 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.1 152.02 95.88 Favored Pre-proline 0 C--N 1.302 -1.462 0 O-C-N 121.408 -0.808 . . . . 0.0 109.721 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.43 156.68 65.16 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.809 2.339 . . . . 0.0 112.655 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 43' ' ' VAL . 3.3 m -64.53 -33.48 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.434 -0.791 . . . . 0.0 110.085 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -49.03 -36.69 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.234 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.45 -44.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.0 108.938 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.57 -36.55 84.16 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.323 -0.86 . . . . 0.0 109.034 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' OH ' ' NE ' ' B' ' 11' ' ' ARG . 8.7 t80 -58.22 -42.51 86.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.419 HG23 HD22 ' A' ' 58' ' ' LEU . 96.3 mt -62.54 -43.11 98.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.41 74.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.273 -0.892 . . . . 0.0 109.357 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -61.06 -50.18 74.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.161 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -67.39 -41.44 84.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.324 -0.86 . . . . 0.0 109.72 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -64.5 -42.38 95.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.2 m -58.6 -20.4 46.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.455 -0.778 . . . . 0.0 109.685 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HZ1' HD13 ' B' ' 16' ' ' LEU . 98.9 mttt -89.52 10.68 21.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.114 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.486 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 79.66 19.26 71.29 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' LEU . 82.6 t -69.63 -43.3 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.077 -1.249 . . . . 0.0 109.593 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 55' ' ' GLY . 2.0 m-20 60.75 97.71 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 121.572 0.701 . . . . 0.0 109.948 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 58' ' ' LEU . 2.2 mp -90.92 -2.22 57.75 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -55.52 -39.61 70.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.29 67.96 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.616 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.95 -42.94 99.69 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 110.137 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.83 -36.23 83.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.47 -0.769 . . . . 0.0 109.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.71 -31.55 71.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -58.83 -49.7 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.177 -0.952 . . . . 0.0 109.386 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -67.22 -43.62 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.618 HG22 ' N ' ' A' ' 67' ' ' VAL . 96.3 mt -71.44 167.39 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.553 -0.717 . . . . 0.0 109.993 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.618 ' N ' HG22 ' A' ' 66' ' ' ILE . 14.5 p -67.8 34.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.343 -0.848 . . . . 0.0 110.039 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.595 ' C ' ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER 67.25 -50.99 0.49 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.926 -0.484 . . . . 0.0 110.159 179.433 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' VAL . 59.6 tttm 63.74 -13.07 0.09 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 109.426 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.595 ' H ' ' C ' ' A' ' 68' ' ' ASN . 51.9 tp -100.71 127.76 47.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.243 -0.911 . . . . 0.0 109.407 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 12.5 pt-20 -74.5 53.55 0.55 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.526 -0.734 . . . . 0.0 109.55 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 52.19 -104.55 0.19 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.296 -0.877 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 74' ' ' HIS . 2.2 t-80 59.68 46.41 11.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.729 -0.607 . . . . 0.0 109.533 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 73' ' ' HIS . 2.2 m-70 -132.23 91.64 2.98 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.368 -0.832 . . . . 0.0 109.031 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -68.85 -88.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -0.82 . . . . 0.0 109.56 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -169.24 72.63 0.08 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.766 -179.106 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 5' ' ' ASN . 0.7 OUTLIER 72.27 -131.5 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.744 -0.598 . . . . 0.0 110.477 178.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' B' ' 2' ' ' GLU . 20.1 mt -40.8 -40.41 1.34 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.991 -1.068 . . . . 0.0 109.595 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.9 m -61.61 -38.49 87.82 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.308 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 2' ' ' GLU . 13.1 t30 -60.09 -46.56 89.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.159 -0.963 . . . . 0.0 110.144 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' B' ' 10' ' ' GLU . 96.5 mt-10 -53.71 -54.01 44.01 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.09 -1.006 . . . . 0.0 109.642 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.8 mp -62.46 -38.74 90.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.403 -0.811 . . . . 0.0 109.841 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.447 ' HZ2' HD11 ' B' ' 12' ' ' ILE . 3.5 tmtt? -63.92 -39.89 95.22 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.121 -0.987 . . . . 0.0 109.174 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' B' ' 10' ' ' GLU . 41.4 t -56.49 -67.47 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.099 -1.001 . . . . 0.0 109.312 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -40.5 -44.37 2.04 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.79 -0.569 . . . . 0.0 109.974 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' SER . 7.1 tpp85 -54.8 -44.95 74.25 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.188 -0.945 . . . . 0.0 108.664 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.447 HD11 ' HZ2' ' B' ' 8' ' ' LYS . 97.0 mt -65.72 -43.33 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.653 -0.654 . . . . 0.0 109.568 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -59.24 -46.06 89.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.346 -0.846 . . . . 0.0 110.449 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.2 mt -95.81 -0.54 51.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.094 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' ARG . 34.8 t 38.41 60.29 1.33 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 109.826 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.501 HD13 ' HZ1' ' A' ' 54' ' ' LYS . 60.1 mt -85.46 156.88 20.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.55 -0.719 . . . . 0.0 109.89 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -101.37 135.16 43.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.433 -0.792 . . . . 0.0 110.147 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.02 78.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.554 -0.716 . . . . 0.0 109.553 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.13 -42.81 99.61 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.386 -0.821 . . . . 0.0 109.882 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' ' OE1' ' B' ' 24' ' ' GLU . 11.7 t -61.73 -46.13 90.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.196 -0.94 . . . . 0.0 109.987 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.74 -45.83 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.195 -0.94 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.05 70.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.393 -0.817 . . . . 0.0 109.285 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -69.24 -34.94 75.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.318 -0.864 . . . . 0.0 109.49 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' B' ' 20' ' ' SER . 4.9 mp0 -68.31 -67.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.336 -0.853 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.1 mtm -65.44 -39.5 92.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.991 . . . . 0.0 109.66 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 48.75 3.11 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -120.8 161.56 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.509 -0.994 . . . . 0.0 109.687 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -67.14 150.17 49.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.676 0.751 . . . . 0.0 110.376 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -62.4 -34.7 77.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.245 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.01 -43.02 77.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.5 -48.92 73.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.283 -0.886 . . . . 0.0 109.618 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.72 -43.48 96.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.0 109.924 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.2 -33.23 74.16 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.382 -0.824 . . . . 0.0 109.524 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' B' ' 38' ' ' SER . 41.0 t-20 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.35 -42.93 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 0.0 109.179 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.05 -34.76 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -113.45 17.12 18.64 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.4 -0.813 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 34' ' ' ASN . 3.6 m -67.14 148.02 52.36 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.221 -0.925 . . . . 0.0 109.844 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 40' ' ' THR . 29.6 mp0 -89.8 108.02 19.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.507 -0.746 . . . . 0.0 109.574 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.567 HG22 ' N ' ' B' ' 41' ' ' ALA . 64.0 m 55.38 163.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.502 0.668 . . . . 0.0 110.61 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.567 ' N ' HG22 ' B' ' 40' ' ' THR . . . -85.94 153.33 57.39 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.553 -0.717 . . . . 0.0 109.774 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.3 161.31 46.39 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.905 2.404 . . . . 0.0 112.991 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.407 ' H ' HG22 ' B' ' 43' ' ' VAL . 14.3 m -57.74 -18.25 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.493 -0.754 . . . . 0.0 109.684 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.07 -44.88 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.131 -0.98 . . . . 0.0 109.254 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.41 -46.81 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.296 -0.877 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.65 -38.06 89.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.483 -0.76 . . . . 0.0 109.395 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -57.65 -41.04 80.67 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.99 -44.02 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -34.12 68.95 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.442 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 2.8 t80 -61.78 -48.04 82.43 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 108.68 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.92 -42.35 97.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -0.774 . . . . 0.0 109.561 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -64.29 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.343 -0.848 . . . . 0.0 109.216 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -59.05 -17.79 28.9 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.493 -0.754 . . . . 0.0 109.528 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -97.38 2.92 51.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -0.844 . . . . 0.0 108.837 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.07 23.72 63.07 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.698 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.25 -18.91 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.07 -1.253 . . . . 0.0 109.155 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' B' ' 59' ' ' ASN . 80.4 m-20 59.25 51.46 6.84 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.54 HD11 HD22 ' B' ' 61' ' ' LEU . 13.1 tp -61.29 -0.8 0.4 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.576 -0.703 . . . . 0.0 109.484 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' B' ' 57' ' ' ASP . 60.7 m-20 -62.0 -40.98 97.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.375 -0.828 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.78 87.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.0 110.213 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.54 HD22 HD11 ' B' ' 58' ' ' LEU . 7.2 tp -61.98 -46.51 88.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.922 . . . . 0.0 109.702 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.06 -45.97 86.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.224 -0.922 . . . . 0.0 109.336 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' B' ' 67' ' ' VAL . 28.4 t70 -61.82 -33.15 73.63 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -50.63 71.62 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.109 -0.994 . . . . 0.0 108.617 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -44.13 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.237 -0.914 . . . . 0.0 109.508 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' B' ' 68' ' ' ASN . 95.6 mt -74.55 -17.09 16.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.519 -0.738 . . . . 0.0 109.703 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 63' ' ' ASP . 3.4 t 63.52 -69.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.669 -0.644 . . . . 0.0 109.268 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 66' ' ' ILE . 5.8 t-20 64.33 136.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.648 -0.658 . . . . 0.0 109.985 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.41 78.56 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 109.04 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 68' ' ' ASN . 4.9 tp -86.55 -6.09 58.98 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.597 -0.689 . . . . 0.0 109.181 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 52.77 -110.49 0.53 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 108.957 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -171.84 43.61 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.093 -1.004 . . . . 0.0 108.778 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -65.23 -33.64 76.47 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -84.7 96.28 9.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.162 -0.961 . . . . 0.0 109.908 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -88.67 -48.94 7.17 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -164.78 132.65 3.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 109.418 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.98 179.722 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.38 172.08 13.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.242 -0.911 . . . . 0.0 110.143 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.13 -45.24 94.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.388 -0.82 . . . . 0.0 109.739 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 t -65.14 -33.9 77.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -59.35 -46.94 87.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.092 -1.005 . . . . 0.0 109.514 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.7 -31.64 68.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.069 -1.019 . . . . 0.0 108.962 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.52 -43.45 98.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -62.69 -39.54 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.32 -43.45 93.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.16 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.75 -50.69 67.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.995 -1.066 . . . . 0.0 109.294 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.4 ttp180 -61.56 -41.82 97.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 109.041 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.45 -44.07 98.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.947 -1.096 . . . . 0.0 109.466 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.44 -44.68 96.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.17 -0.956 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.7 mt -92.28 -0.58 57.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.117 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' ARG . 4.5 p 40.7 46.76 2.31 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.677 -0.64 . . . . 0.0 109.327 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 tp -79.97 157.0 26.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.438 -0.789 . . . . 0.0 110.025 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -101.9 137.52 40.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.449 -0.782 . . . . 0.0 110.343 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.51 87.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.595 -0.691 . . . . 0.0 109.797 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.64 -43.62 98.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 109.722 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -60.61 -45.41 94.13 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.163 -0.96 . . . . 0.0 109.886 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.419 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 73.7 t -66.35 -43.83 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 110.215 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.62 72.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 110.533 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.41 -46.4 66.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.041 -1.037 . . . . 0.0 110.701 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.36 -48.66 80.81 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.168 -0.958 . . . . 0.0 109.697 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.419 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 81.0 mtp -62.78 -38.61 91.31 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.078 -1.013 . . . . 0.0 109.985 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.37 19.14 9.06 Favored Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 pt -123.83 162.97 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.723 -0.869 . . . . 0.0 109.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 165.46 22.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.642 0.734 . . . . 0.0 110.427 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -63.19 -35.57 80.74 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.72 -42.38 97.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.459 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.91 -42.33 94.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.586 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.56 -41.08 98.44 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 109.242 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.53 -33.11 72.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.488 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.78 -42.08 96.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.24 -0.913 . . . . 0.0 108.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.33 -44.43 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 109.093 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' NH2' ' A' ' 11' ' ' ARG . 35.3 tt0 -58.8 -22.49 58.5 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -90.95 15.26 11.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -60.0 141.6 55.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.522 -0.737 . . . . 0.0 109.847 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -125.9 -60.25 1.3 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.0 m -116.41 127.48 54.66 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.37 151.42 46.31 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 121.075 -1.016 . . . . 0.0 111.57 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.89 151.72 62.85 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.946 2.431 . . . . 0.0 112.852 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' B' ' 35' ' ' ILE . 4.1 m -63.32 -10.3 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.509 -0.744 . . . . 0.0 109.636 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.46 -43.69 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.14 -45.44 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.315 -0.866 . . . . 0.0 109.609 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' B' ' 65' ' ' ILE . 67.7 mttm -62.65 -40.46 97.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.754 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.12 -39.55 82.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 0.0 108.913 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.14 -43.17 97.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.95 74.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.37 -0.831 . . . . 0.0 109.053 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.26 -49.33 78.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.253 -0.904 . . . . 0.0 108.945 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.28 -39.61 68.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.457 -0.777 . . . . 0.0 109.9 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.41 -41.79 90.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 m -58.61 -22.27 55.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.441 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.46 3.33 55.22 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.278 -0.889 . . . . 0.0 109.312 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 20.86 59.41 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 132.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.984 -1.304 . . . . 0.0 109.03 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.4 m-20 -71.38 105.11 3.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.491 -0.756 . . . . 0.0 110.762 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 pp -90.5 -17.08 27.7 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -63.05 -41.29 99.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.539 0.685 . . . . 0.0 109.226 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.3 79.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.328 -0.858 . . . . 0.0 109.782 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 61' ' ' LEU . 11.0 mp -62.14 -40.97 97.73 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.487 -0.758 . . . . 0.0 109.637 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.16 -41.1 70.83 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.044 -1.035 . . . . 0.0 109.764 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -52.43 -40.92 62.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.08 -1.012 . . . . 0.0 108.98 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.522 HH11 ' CD ' ' B' ' 6' ' ' GLU . 0.2 OUTLIER -68.63 -37.46 79.75 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.115 -0.991 . . . . 0.0 108.605 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG22 ' NZ ' ' B' ' 46' ' ' LYS . 96.9 mt -74.75 -69.49 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.322 -0.861 . . . . 0.0 110.314 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.7 pt -74.83 150.22 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.231 -0.918 . . . . 0.0 110.577 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 t 63.45 111.8 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 CA-C-O 121.486 0.66 . . . . 0.0 109.768 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.72 145.11 47.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.463 -0.773 . . . . 0.0 109.974 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 71' ' ' GLU . 70.9 mmtt -100.39 16.42 24.56 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.82 11.56 0.37 Allowed 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 69' ' ' LYS . 37.4 mt-10 -42.87 142.36 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.65 -0.656 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 9.0 p80 -96.43 63.53 2.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.519 -0.738 . . . . 0.0 109.215 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 75' ' ' HIS . 3.1 m80 -75.24 -3.55 33.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.457 -0.777 . . . . 0.0 109.138 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 47.96 -89.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.456 -0.778 . . . . 0.0 109.918 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.54 ' N ' ' O ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -55.07 94.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.454 -0.779 . . . . 0.0 109.554 -179.04 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.497 ' O ' ' CB ' ' A' ' 77' ' ' HIS . 8.6 t60 -162.72 159.77 24.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.835 . . . . 0.0 109.437 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' A' ' 76' ' ' HIS . 4.0 t-80 . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.256 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -76.45 166.83 22.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.336 -0.853 . . . . 0.0 110.676 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.38 -44.33 96.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.469 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 36' ' ' GLU . 5.1 t -67.53 -33.16 74.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.29 -0.881 . . . . 0.0 109.95 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.95 -47.25 86.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.522 ' CD ' HH11 ' A' ' 64' ' ' ARG . 44.3 mt-10 -73.85 -34.75 64.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.128 -0.982 . . . . 0.0 109.958 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.49 -45.72 93.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.981 . . . . 0.0 109.452 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.99 -43.17 93.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.677 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.0 109.899 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.55 -34.21 70.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.136 -0.978 . . . . 0.0 108.485 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -60.85 -45.34 94.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 108.453 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.07 -43.12 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.476 -0.765 . . . . 0.0 109.717 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -59.49 -41.03 88.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.0 109.374 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.41 0.2 57.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.317 -0.865 . . . . 0.0 108.977 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p 43.77 64.48 1.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 109.812 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -112.08 147.84 35.18 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.236 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.429 ' OG1' ' OG ' ' B' ' 20' ' ' SER . 14.4 p -100.12 140.16 34.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.493 -0.754 . . . . 0.0 109.876 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.82 91.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.445 -0.784 . . . . 0.0 109.645 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.308 -0.87 . . . . 0.0 109.835 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.429 ' OG ' ' OG1' ' B' ' 17' ' ' THR . 58.2 m -59.95 -45.21 93.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 110.219 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.2 -46.67 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.06 -1.025 . . . . 0.0 109.798 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.78 82.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.272 -0.893 . . . . 0.0 109.911 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -63.77 -54.21 38.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.262 -0.899 . . . . 0.0 110.287 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.83 -40.64 91.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.186 -0.946 . . . . 0.0 109.03 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 62.7 mmm -62.98 -38.91 93.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.586 -0.696 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.9 8.06 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.65 162.66 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.55 -0.971 . . . . 0.0 109.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -65.44 148.2 52.12 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.658 0.742 . . . . 0.0 110.303 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -61.44 -40.8 95.8 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.09 -37.69 86.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.78 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.418 ' NE2' HG11 ' A' ' 43' ' ' VAL . 59.1 tt0 -61.37 -41.56 97.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.032 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 35' ' ' ILE . 55.4 tp -64.29 -39.84 94.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.262 -0.899 . . . . 0.0 109.024 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -58.86 -33.2 70.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.409 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -62.93 -39.71 95.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.902 -1.124 . . . . 0.0 109.029 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.588 HD12 HD12 ' B' ' 32' ' ' LEU . 96.6 mt -62.1 -45.33 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.871 . . . . 0.0 110.836 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.402 ' O ' ' OG ' ' B' ' 4' ' ' SER . 14.5 pt-20 -81.55 -12.41 58.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 109.874 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -104.18 18.71 21.53 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -66.07 158.37 28.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.499 -0.751 . . . . 0.0 109.932 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -116.14 -49.76 2.68 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.766 -0.584 . . . . 0.0 109.773 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -121.19 130.75 53.85 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 109.065 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 146.18 58.32 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.238 -0.913 . . . . 0.0 109.554 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.16 152.6 67.3 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.374 2.049 . . . . 0.0 112.607 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.413 ' H ' HG22 ' B' ' 43' ' ' VAL . 11.1 m -65.63 -31.06 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.452 -0.78 . . . . 0.0 110.192 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.436 ' H ' HG13 ' B' ' 44' ' ' VAL . 4.2 m -44.11 -36.79 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.423 -0.798 . . . . 0.0 109.846 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.415 ' N ' HG23 ' B' ' 44' ' ' VAL . 93.0 t -62.58 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.423 ' NZ ' HG22 ' A' ' 65' ' ' ILE . 67.8 mttm -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.353 -0.842 . . . . 0.0 109.154 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.86 -44.81 96.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.831 . . . . 0.0 109.311 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.43 -43.29 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.0 109.271 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.86 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.297 -0.877 . . . . 0.0 109.064 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.66 -45.37 94.37 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.16 -40.88 98.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.307 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -63.56 -36.68 84.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.327 -0.858 . . . . 0.0 109.474 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.4 m -56.8 -34.52 67.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.324 -0.86 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.23 -0.11 56.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.532 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.11 25.32 71.47 Favored Glycine 0 N--CA 1.493 2.446 0 C-N-CA 119.901 -1.142 . . . . 0.0 110.295 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 58' ' ' LEU . 40.7 t -54.58 144.86 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.082 -1.246 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.87 70.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.9 tp -89.23 -10.94 45.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 108.796 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -62.39 -42.33 99.34 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.35 88.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.669 -0.644 . . . . 0.0 110.394 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 61' ' ' LEU . 11.0 mp -61.24 -44.34 97.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.14 -0.975 . . . . 0.0 109.402 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.92 -43.15 84.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.004 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.53 -45.71 18.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.287 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -71.45 -41.66 69.16 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.226 -0.921 . . . . 0.0 110.292 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 96.9 mt -63.95 -43.61 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.779 -1.201 . . . . 0.0 109.882 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' B' ' 67' ' ' VAL . 94.5 mt -60.26 85.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.312 -0.868 . . . . 0.0 110.094 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' B' ' 66' ' ' ILE . 4.9 t 58.37 139.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.629 0.728 . . . . 0.0 110.552 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.22 131.95 35.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.319 -0.863 . . . . 0.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -74.94 136.74 41.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.531 -0.73 . . . . 0.0 109.515 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' B' ' 71' ' ' GLU . 95.7 mt -130.68 -91.79 0.43 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.633 -0.667 . . . . 0.0 109.374 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER 32.24 -150.8 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 121.188 0.518 . . . . 0.0 110.485 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -104.62 -80.39 0.54 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.391 -0.818 . . . . 0.0 109.192 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 49.1 67.09 0.93 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.638 ' CG ' ' H ' ' B' ' 75' ' ' HIS . 7.0 t60 -85.1 -165.84 1.33 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.407 -0.808 . . . . 0.0 109.902 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.638 ' H ' ' CG ' ' B' ' 74' ' ' HIS . 29.4 m80 52.19 10.36 0.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.303 -0.873 . . . . 0.0 109.016 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.635 ' CG ' ' N ' ' B' ' 77' ' ' HIS . 0.0 OUTLIER -63.67 -133.94 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.368 -0.833 . . . . 0.0 110.13 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.635 ' N ' ' CG ' ' B' ' 76' ' ' HIS . 29.0 t-80 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 ttp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.302 0.572 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 56.85 102.15 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.8 -41.19 99.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.898 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -60.61 -42.02 95.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.1 t30 -66.81 -49.66 65.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -59.24 -45.29 91.55 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.55 HD11 HD11 ' B' ' 51' ' ' LEU . 36.4 tp -63.04 -42.35 99.72 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.86 -36.37 83.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.498 -0.751 . . . . 0.0 109.538 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' ASN . 47.1 t -60.98 -45.91 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.201 -0.937 . . . . 0.0 109.462 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -67.25 -36.99 82.75 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.066 -1.021 . . . . 0.0 108.756 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' A' ' 36' ' ' GLU . 8.8 ttt85 -58.93 -44.36 91.35 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.37 -41.78 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -54.21 -45.54 72.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.533 -0.729 . . . . 0.0 109.412 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -95.88 -2.06 48.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.197 -0.94 . . . . 0.0 108.615 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p 44.33 79.6 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.545 -0.722 . . . . 0.0 109.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.62 157.62 17.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 p -98.36 128.5 44.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.4 -0.812 . . . . 0.0 109.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.85 85.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.95 -46.56 87.16 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.235 -0.915 . . . . 0.0 110.033 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -64.05 -45.16 90.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 0.0 109.916 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 61.3 t -63.85 -45.65 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 110.14 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.37 90.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -46.6 79.22 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.002 -1.061 . . . . 0.0 109.632 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.3 -44.05 69.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.319 -0.863 . . . . 0.0 109.641 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 76.6 mtp -65.42 -38.89 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 0.0 109.685 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.93 30.29 13.34 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -125.31 164.98 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.649 -0.912 . . . . 0.0 109.527 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -72.43 153.17 41.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.304 -0.872 . . . . 0.0 110.097 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -63.06 -36.27 83.0 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -61.92 -39.69 92.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.276 -0.89 . . . . 0.0 108.678 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -63.65 -44.65 93.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.42 -42.44 98.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.223 -0.923 . . . . 0.0 109.073 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.91 -34.88 78.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.294 -0.879 . . . . 0.0 109.682 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -62.22 -41.28 98.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' B' ' 43' ' ' VAL . 61.3 mt -64.9 -44.85 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 109.797 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' A' ' 11' ' ' ARG . 40.0 tt0 -63.16 -22.88 67.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.191 -0.943 . . . . 0.0 108.992 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -93.22 -5.64 49.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.386 -0.821 . . . . 0.0 109.168 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 m -174.75 119.7 0.22 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -0.88 . . . . 0.0 109.398 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -113.22 125.48 54.37 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.461 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.479 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 49.9 p -97.48 134.79 40.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.434 -0.791 . . . . 0.0 109.225 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.51 90.44 14.63 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.408 -0.808 . . . . 0.0 109.352 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.85 163.82 30.77 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.025 1.816 . . . . 0.0 112.736 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -58.41 -20.72 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.499 -0.751 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.06 -45.24 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 109.424 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.96 -45.68 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 109.689 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HZ3' ' HG3' ' B' ' 69' ' ' LYS . 55.8 mttp -62.93 -37.17 85.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 109.431 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' OH ' ' NH1' ' B' ' 11' ' ' ARG . 16.4 t80 -55.49 -43.86 76.0 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.23 -44.55 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.458 -0.776 . . . . 0.0 109.359 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . . . -61.58 -31.36 71.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.293 -0.879 . . . . 0.0 109.174 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -60.29 -45.39 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.4 -37.68 86.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.452 -0.78 . . . . 0.0 109.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' A' ' 49' ' ' ALA . 11.2 mtm105 -59.99 -32.92 71.3 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.326 -0.859 . . . . 0.0 109.604 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -54.31 -38.49 66.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.133 -0.98 . . . . 0.0 109.243 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' CD1' ' B' ' 16' ' ' LEU . 49.2 mtmt -84.57 -0.33 52.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.193 -0.942 . . . . 0.0 109.664 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.9 26.39 45.5 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.671 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.48 133.0 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.912 -1.346 . . . . 0.0 108.634 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -79.68 89.96 5.18 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.349 -0.844 . . . . 0.0 110.27 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.753 ' H ' HD23 ' A' ' 58' ' ' LEU . 1.7 pt? -87.44 -22.22 25.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.399 -0.813 . . . . 0.0 109.319 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -40.57 90.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.84 . . . . 0.0 109.207 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.97 72.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 0.0 110.039 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' CD1' ' OE2' ' B' ' 10' ' ' GLU . 93.7 mt -64.02 -44.27 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.133 -0.98 . . . . 0.0 109.406 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.47 -46.89 74.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.807 . . . . 0.0 110.208 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.881 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -65.75 -45.16 83.61 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' ILE . 92.2 mt -75.56 -71.95 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.391 -0.818 . . . . 0.0 111.584 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' ILE . 47.7 mm 41.29 66.53 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.403 -0.811 . . . . 0.0 109.489 -178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 67' ' ' VAL . 14.3 p -106.63 127.66 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.479 -0.763 . . . . 0.0 109.273 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.51 160.91 26.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 109.845 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HZ2' ' CE ' ' B' ' 46' ' ' LYS . 43.1 mmtm -62.88 -43.86 97.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 109.387 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 71' ' ' GLU . 2.2 tt 40.05 69.07 0.33 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.654 -0.654 . . . . 0.0 109.821 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 70' ' ' LEU . 79.4 tt0 39.82 94.39 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.642 -0.662 . . . . 0.0 110.438 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -87.86 166.82 14.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.865 . . . . 0.0 109.179 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -140.67 100.23 3.81 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.243 -0.911 . . . . 0.0 109.103 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.507 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 15.2 p80 -79.67 -25.05 41.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.088 -1.008 . . . . 0.0 108.684 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 74' ' ' HIS . 9.8 p80 40.27 26.64 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.853 -0.53 . . . . 0.0 109.936 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.577 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -71.45 61.08 0.33 Allowed 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 122.219 1.009 . . . . 0.0 109.337 -179.274 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' HIS . 33.0 m-70 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.036 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.413 ' SD ' ' OE2' ' B' ' 6' ' ' GLU . 5.7 ttt . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -67.72 126.85 30.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.103 -0.998 . . . . 0.0 110.054 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.11 -40.93 95.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.409 -0.807 . . . . 0.0 109.86 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -57.76 -38.89 76.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 109.021 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.97 -39.86 91.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.457 -0.777 . . . . 0.0 109.341 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.413 ' OE2' ' SD ' ' B' ' 1' ' ' MET . 29.5 mm-40 -58.51 -43.42 89.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.415 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.4 mp -62.72 -41.3 99.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 109.524 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -62.33 -36.6 82.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.919 -1.113 . . . . 0.0 109.28 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.34 -46.7 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.084 -1.01 . . . . 0.0 109.561 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.451 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 79.6 mt-10 -63.4 -37.73 88.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.992 -1.068 . . . . 0.0 109.323 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.424 ' NH1' ' OH ' ' A' ' 47' ' ' TYR . 7.0 tpt180 -60.03 -46.73 88.54 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.317 -0.865 . . . . 0.0 109.042 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -74.17 -35.01 39.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -58.3 -46.46 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.381 -0.824 . . . . 0.0 109.397 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.6 mt -97.77 -0.06 45.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 109.033 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.413 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.0 p 41.54 68.51 0.44 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.593 -0.692 . . . . 0.0 109.81 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.444 ' CD1' ' NZ ' ' A' ' 54' ' ' LYS . 53.4 mt -79.02 155.92 28.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.394 -0.816 . . . . 0.0 109.401 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -97.36 140.45 31.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.219 -0.926 . . . . 0.0 109.894 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.39 83.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.22 -0.925 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.15 -45.57 94.1 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.295 -0.878 . . . . 0.0 109.852 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t -62.31 -51.55 67.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 110.397 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.0 -45.33 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.09 -1.006 . . . . 0.0 109.831 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.469 ' CB ' ' NH1' ' B' ' 29' ' ' ARG . . . -64.4 -35.77 81.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.287 -0.883 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.97 -52.71 63.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.032 -1.043 . . . . 0.0 110.585 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -69.15 -40.56 78.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.841 -1.162 . . . . 0.0 109.73 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 78.1 mmm -64.57 -39.31 93.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.421 -0.8 . . . . 0.0 109.595 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.32 30.86 23.9 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.32 163.56 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.546 -0.973 . . . . 0.0 109.554 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -73.05 163.73 27.73 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.332 -0.855 . . . . 0.0 109.979 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.469 ' NH1' ' CB ' ' B' ' 22' ' ' ALA . 71.1 mmt-85 -64.23 -36.84 85.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.42 -42.33 95.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.035 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -63.39 -44.79 93.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.57 -42.3 98.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.365 -0.834 . . . . 0.0 109.464 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' CYS . . . . . 0.438 ' SG ' ' OE1' ' B' ' 37' ' ' GLN . 0.5 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.278 -0.889 . . . . 0.0 109.521 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -62.34 -41.29 98.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.101 -0.999 . . . . 0.0 109.659 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.96 -48.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 109.692 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.56 -32.32 72.15 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.205 -0.935 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.438 ' OE1' ' SG ' ' B' ' 33' ' ' CYS . 51.0 mt-30 -86.88 -3.18 59.04 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.994 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -171.12 101.55 0.21 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.045 -1.034 . . . . 0.0 109.872 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.06 100.11 13.02 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.9 p -68.45 136.91 53.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 0.0 109.763 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.25 82.58 38.39 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 0.0 109.363 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.91 158.58 42.46 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.24 1.96 . . . . 0.0 112.679 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.409 ' CG2' HD11 ' A' ' 35' ' ' ILE . 7.0 m -50.27 -15.38 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.528 -0.733 . . . . 0.0 110.259 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.426 HG21 ' OE2' ' A' ' 39' ' ' GLU . 99.3 t -60.75 -45.71 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.081 -1.012 . . . . 0.0 109.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.84 -42.95 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -0.893 . . . . 0.0 108.845 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.416 ' CE ' ' HZ2' ' A' ' 69' ' ' LYS . 69.6 mmtt -60.0 -37.82 80.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.456 -0.778 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -48.51 81.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.153 -0.967 . . . . 0.0 108.863 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.92 -43.0 96.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 109.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.502 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -51.35 -45.26 62.28 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.191 -0.943 . . . . 0.0 109.371 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.14 -44.42 94.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.169 -0.957 . . . . 0.0 108.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.55 HD11 HD11 ' A' ' 7' ' ' LEU . 92.1 mt -62.23 -37.91 87.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.305 -0.872 . . . . 0.0 109.108 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.502 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 69.3 mtm180 -60.06 -29.58 68.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -53.21 -33.79 54.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 108.844 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -95.4 -2.84 48.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.148 -0.97 . . . . 0.0 109.458 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.56 41.03 25.82 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' LEU . 76.9 t -65.84 134.57 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.255 . . . . 0.0 109.753 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -52.12 86.45 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.491 -0.755 . . . . 0.0 110.147 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 2.5 pp -90.7 -27.8 18.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 109.474 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -63.69 -44.78 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.926 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.417 ' O ' ' NH1' ' B' ' 64' ' ' ARG . . . -70.55 -38.32 74.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.278 -0.889 . . . . 0.0 109.646 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.18 -44.53 96.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.877 . . . . 0.0 109.596 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.74 -38.58 80.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.218 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.47 -47.82 78.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.906 -1.121 . . . . 0.0 110.66 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' B' ' 60' ' ' ALA . 54.4 mtt85 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.004 -1.06 . . . . 0.0 110.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' B' ' 66' ' ' ILE . 95.5 mt -63.8 -43.09 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.005 . . . . 0.0 111.148 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' B' ' 65' ' ' ILE . 86.0 mt -41.04 100.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.137 -0.977 . . . . 0.0 110.715 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' B' ' 68' ' ' ASN . 46.9 t -148.89 -15.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' B' ' 67' ' ' VAL . 3.3 m-20 76.1 142.82 0.08 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.456 0.646 . . . . 0.0 110.605 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.428 ' HG3' ' HZ3' ' A' ' 46' ' ' LYS . 60.0 mttp -65.26 -40.76 94.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.593 -0.692 . . . . 0.0 109.654 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 50.1 mt 57.24 -159.79 0.24 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.542 -0.723 . . . . 0.0 110.03 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.68 120.57 31.07 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -125.22 -172.71 2.64 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.681 -0.637 . . . . 0.0 109.388 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -141.47 134.27 28.76 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.228 -0.92 . . . . 0.0 109.007 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -84.0 136.65 33.97 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.854 -1.153 . . . . 0.0 108.178 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' B' ' 76' ' ' HIS . 0.6 OUTLIER -78.89 -1.28 34.4 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.224 -0.922 . . . . 0.0 108.993 -178.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' B' ' 77' ' ' HIS . 1.9 m-70 -48.46 176.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.488 -0.758 . . . . 0.0 110.043 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' B' ' 76' ' ' HIS . 10.5 m-70 . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.99 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ptp . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.461 0.648 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 3' ' ' LEU . 37.1 tt0 -82.4 173.0 12.43 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.396 -0.815 . . . . 0.0 109.055 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' B' ' 65' ' ' ILE . 24.1 mt -61.41 -45.42 94.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.124 . . . . 0.0 109.861 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 t -75.13 -32.37 61.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.232 -0.918 . . . . 0.0 109.215 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -64.46 -46.59 82.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.498 -0.751 . . . . 0.0 109.616 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -71.7 -38.17 70.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.339 -0.851 . . . . 0.0 109.842 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.63 -41.34 98.97 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.231 -0.918 . . . . 0.0 108.817 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.79 -37.61 87.37 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.699 -0.625 . . . . 0.0 109.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.53 -44.27 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.132 -0.98 . . . . 0.0 108.784 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -55.96 -40.16 72.82 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.342 -0.849 . . . . 0.0 108.828 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.44 -49.68 76.61 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.199 -0.938 . . . . 0.0 108.827 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.02 -43.84 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.738 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -65.02 -41.12 95.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.404 -0.81 . . . . 0.0 109.748 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -84.26 -3.89 58.5 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 p 44.01 69.26 0.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.552 -0.717 . . . . 0.0 110.148 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.599 HD13 ' NZ ' ' B' ' 54' ' ' LYS . 91.6 mt -103.64 147.68 26.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.516 -0.74 . . . . 0.0 109.819 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.1 p -98.34 131.74 44.39 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.538 0.685 . . . . 0.0 109.78 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -35.52 80.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.65 -47.08 85.27 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.755 . . . . 0.0 110.028 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -60.11 -45.38 93.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 0.0 110.151 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.507 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 74.2 t -67.48 -42.76 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.928 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.86 85.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.281 -0.887 . . . . 0.0 110.382 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.15 -44.94 95.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.989 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.356 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 92.7 mtp -65.04 -38.25 90.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.393 -0.817 . . . . 0.0 109.695 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 31.36 7.8 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 pt -124.7 161.45 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.526 -0.985 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -76.04 162.38 28.09 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.229 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -62.84 -33.73 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.33 -40.48 93.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.307 -0.871 . . . . 0.0 109.54 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.08 -41.44 96.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.322 -0.861 . . . . 0.0 108.913 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' B' ' 47' ' ' TYR . 14.2 tp -64.65 -41.64 95.97 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.9 m -66.91 -32.87 74.42 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.536 -0.727 . . . . 0.0 109.9 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' SER . 72.0 m-20 -60.64 -43.71 97.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.0 109.924 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.86 -46.18 96.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 120.994 -1.066 . . . . 0.0 109.581 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -77.32 -6.14 52.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.323 -0.861 . . . . 0.0 109.691 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -107.86 -23.81 11.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.416 -0.803 . . . . 0.0 108.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' ASN . 14.5 m -82.9 -143.16 0.06 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.349 -0.844 . . . . 0.0 110.256 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.555 ' C ' ' H ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -87.73 -18.91 28.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.426 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.3 m 60.84 -5.11 0.11 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.72 -0.613 . . . . 0.0 109.81 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.555 ' H ' ' C ' ' A' ' 39' ' ' GLU . . . -131.01 84.95 56.45 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.44 -0.788 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.01 158.65 52.05 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.314 2.009 . . . . 0.0 112.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -56.2 -16.65 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.12 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -61.32 -42.52 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.65 -44.08 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.264 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.69 -39.85 90.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.283 -0.886 . . . . 0.0 109.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' B' ' 32' ' ' LEU . 0.3 OUTLIER -56.34 -47.88 77.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.488 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.69 -43.45 98.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.693 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.49 94.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.691 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.77 -42.68 99.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.407 -0.808 . . . . 0.0 109.743 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.1 mt -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.074 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.6 -35.97 77.42 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.435 -0.791 . . . . 0.0 109.6 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.1 p -55.56 -22.42 21.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 109.684 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' CB ' HD13 ' B' ' 14' ' ' LEU . 1.6 mptm? -96.08 -4.27 43.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.077 -1.014 . . . . 0.0 108.841 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.62 28.28 22.21 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.73 135.03 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.127 -1.22 . . . . 0.0 110.261 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 38.0 p30 -74.92 100.1 4.02 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.874 0.845 . . . . 0.0 110.28 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.38 -15.15 29.42 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.442 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 2.8 m-20 -60.44 -49.54 77.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.485 -0.76 . . . . 0.0 109.581 -179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -43.2 97.09 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.35 -0.844 . . . . 0.0 110.012 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.19 -44.41 92.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.373 -0.829 . . . . 0.0 109.528 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.04 -43.66 70.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 63.9 m-20 -64.58 -32.36 73.97 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -47.5 70.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.09 -43.45 88.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.61 -0.681 . . . . 0.0 109.208 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' ASP . 61.3 mt -99.03 119.58 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.558 -0.714 . . . . 0.0 109.494 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 67' ' ' VAL . 7.5 p -95.42 110.07 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.67 -0.644 . . . . 0.0 110.101 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.441 ' CG ' ' H ' ' A' ' 69' ' ' LYS . 58.2 t30 -142.27 -149.4 0.27 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.175 -0.953 . . . . 0.0 109.222 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' H ' ' CG ' ' A' ' 68' ' ' ASN . 63.1 tttp -63.7 131.33 47.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.317 -0.864 . . . . 0.0 110.456 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.9 tp -90.44 128.58 36.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.429 -0.794 . . . . 0.0 109.796 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -89.89 123.75 34.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.402 -0.811 . . . . 0.0 109.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -89.52 176.72 6.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.479 -0.763 . . . . 0.0 110.234 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 70.7 88.96 0.1 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.697 0.76 . . . . 0.0 109.824 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.05 161.68 14.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.643 -0.661 . . . . 0.0 109.694 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -77.52 -129.95 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 72.1 m-70 40.03 45.4 1.62 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.562 0.696 . . . . 0.0 109.439 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 76' ' ' HIS . 19.8 p80 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.183 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.2 ttm . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -84.26 159.3 20.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.298 -0.876 . . . . 0.0 110.235 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.508 ' C ' HD23 ' B' ' 3' ' ' LEU . 3.2 tt -51.09 -59.04 4.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.561 -0.712 . . . . 0.0 110.077 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.2 p -61.44 -33.03 73.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.894 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.481 ' O ' HG23 ' B' ' 9' ' ' VAL . 24.7 t-20 -64.6 -45.38 87.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 109.645 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -72.25 -38.32 68.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -0.938 . . . . 0.0 109.566 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 51' ' ' LEU . 57.9 tp -62.9 -43.62 98.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.385 -0.822 . . . . 0.0 109.496 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.92 -37.67 88.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.499 -0.75 . . . . 0.0 109.644 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 5' ' ' ASN . 47.1 t -61.4 -44.3 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.787 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -64.75 -34.99 79.64 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.996 -1.065 . . . . 0.0 109.647 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.555 HH22 ' CD ' ' B' ' 36' ' ' GLU . 48.8 ttp180 -61.83 -38.87 89.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.278 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.46 -42.9 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 CA-C-O 121.434 0.635 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 33.2 mtp-105 -54.11 -43.06 70.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.383 -0.823 . . . . 0.0 109.289 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.412 HD13 ' CB ' ' A' ' 54' ' ' LYS . 84.4 mt -87.56 -4.81 58.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.857 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.0 m 47.56 77.89 0.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.624 -0.672 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.43 138.28 35.12 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.819 0.818 . . . . 0.0 109.778 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.8 p -92.05 138.49 31.49 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 109.683 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.25 82.62 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.554 -0.717 . . . . 0.0 109.508 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.66 -48.62 74.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -62.08 -45.01 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.39 -0.819 . . . . 0.0 109.813 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.05 -43.48 85.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.561 -0.712 . . . . 0.0 109.942 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -51.1 71.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.427 -0.796 . . . . 0.0 110.841 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.79 -49.92 73.05 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.183 -0.948 . . . . 0.0 110.445 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.36 -39.69 92.63 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.027 -1.045 . . . . 0.0 109.889 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.05 -35.61 81.73 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.151 -0.968 . . . . 0.0 109.133 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.2 18.91 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 pt -128.72 165.21 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.551 -0.97 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -79.74 166.29 21.93 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.66 0.743 . . . . 0.0 110.524 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -64.97 -37.38 87.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.56 -0.713 . . . . 0.0 109.29 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.15 -38.93 92.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.511 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -61.21 -45.61 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 0.0 108.725 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 47' ' ' TYR . 48.5 tp -64.96 -38.83 92.27 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -40.46 76.06 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.555 -0.716 . . . . 0.0 109.677 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -62.09 -43.56 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.382 -0.824 . . . . 0.0 109.364 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 39' ' ' GLU . 66.6 mt -64.18 -45.14 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.368 -0.833 . . . . 0.0 109.226 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.555 ' CD ' HH22 ' B' ' 11' ' ' ARG . 78.9 tt0 -71.74 -17.16 62.22 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.442 -0.786 . . . . 0.0 110.012 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -96.32 -15.51 21.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -0.996 . . . . 0.0 108.835 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.5 p -155.53 47.93 0.52 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' B' ' 40' ' ' THR . 0.0 OUTLIER -52.22 -81.83 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.522 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m 53.47 158.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.724 0.773 . . . . 0.0 110.853 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.46 ' N ' HG22 ' B' ' 40' ' ' THR . . . -89.94 125.44 60.7 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.89 -1.131 . . . . 0.0 110.345 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.69 161.81 30.46 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.622 2.215 . . . . 0.0 112.504 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.97 -20.44 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.245 -0.909 . . . . 0.0 109.459 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.41 -43.77 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.408 -0.807 . . . . 0.0 109.434 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.89 -41.29 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.424 -0.797 . . . . 0.0 109.438 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.73 -41.28 86.07 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.272 -0.893 . . . . 0.0 109.562 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.95 -45.92 91.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.045 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.67 -43.18 94.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.154 -0.966 . . . . 0.0 109.465 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.25 90.42 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.146 -0.971 . . . . 0.0 109.871 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -46.06 90.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.169 -0.957 . . . . 0.0 109.548 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.48 -38.38 90.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.48 -0.762 . . . . 0.0 109.277 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.82 96.22 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.799 . . . . 0.0 109.815 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -64.65 -15.99 62.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 0.0 109.757 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.599 ' NZ ' HD13 ' A' ' 16' ' ' LEU . 98.5 mttt -88.89 7.96 31.75 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.67 13.8 74.74 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.58 136.15 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.328 . . . . 0.0 109.967 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.83 80.0 9.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.567 -0.708 . . . . 0.0 111.085 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 4.0 mm? -68.09 -40.96 82.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -46.76 47.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.448 -0.782 . . . . 0.0 109.434 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.91 85.69 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.543 -0.723 . . . . 0.0 109.856 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.416 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -67.6 -35.55 79.19 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.399 -0.813 . . . . 0.0 109.298 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.58 -31.52 68.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.525 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.495 HH11 ' HG2' ' B' ' 64' ' ' ARG . 28.9 mtp85 -59.71 -34.09 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 108.643 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.53 ' CD1' HD21 ' A' ' 3' ' ' LEU . 96.6 mt -94.93 -66.29 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 109.802 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 pt -82.76 137.22 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.923 . . . . 0.0 110.842 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.568 ' O ' HG13 ' B' ' 67' ' ' VAL . 6.0 p -104.55 88.21 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.548 -0.72 . . . . 0.0 109.467 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -105.14 12.38 32.1 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 45.99 37.16 3.48 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 51.5 tp -64.05 -42.02 97.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.28 -0.887 . . . . 0.0 109.647 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.65 90.12 7.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.125 -0.985 . . . . 0.0 109.873 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -85.28 -51.74 6.38 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.418 -0.802 . . . . 0.0 109.08 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -85.24 -172.01 3.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.628 -0.67 . . . . 0.0 110.346 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.602 ' CE1' ' CD2' ' B' ' 76' ' ' HIS . 1.4 t-80 -151.35 139.05 19.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.42 -0.8 . . . . 0.0 109.393 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -110.05 110.97 22.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.579 -0.701 . . . . 0.0 110.024 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.602 ' CD2' ' CE1' ' B' ' 74' ' ' HIS . 9.1 m-70 -157.3 120.03 3.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.416 -0.802 . . . . 0.0 108.977 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.402 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -79.53 157.09 27.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.488 -0.758 . . . . 0.0 109.855 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.94 -44.59 95.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.221 -0.925 . . . . 0.0 109.828 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p -62.28 -35.69 79.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 109.63 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -64.83 -39.91 94.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.411 -0.806 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 37.1 mm-40 -59.76 -52.28 66.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 110.08 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 7' ' ' LEU . 11.0 mp -61.84 -39.19 90.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 109.522 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -59.51 -40.36 86.82 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.211 -0.931 . . . . 0.0 109.328 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.19 -45.68 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 109.859 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 1.2 mp0 -61.06 -40.82 95.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.31 -0.868 . . . . 0.0 110.209 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 15' ' ' SER . 52.5 mtp180 -58.81 -42.98 90.42 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.92 -1.112 . . . . 0.0 108.452 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.94 -43.33 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -60.82 -44.95 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.334 -0.854 . . . . 0.0 109.468 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' SER . 91.4 mt -92.78 -2.01 56.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 108.658 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.1 t 36.78 64.26 0.59 Allowed 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.359 0.6 . . . . 0.0 110.331 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -107.28 134.95 49.62 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.469 0.652 . . . . 0.0 109.592 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 p -82.52 158.74 23.03 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.66 0.743 . . . . 0.0 110.412 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.36 -38.28 74.75 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.9 -46.98 82.42 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -61.09 -45.53 94.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.886 . . . . 0.0 109.374 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.92 -42.74 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.388 -0.82 . . . . 0.0 109.481 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.65 89.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.466 -0.771 . . . . 0.0 109.832 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -62.04 -49.99 73.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.121 -0.987 . . . . 0.0 109.755 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' OE1' ' CE1' ' B' ' 50' ' ' PHE . 4.7 tm-20 -70.4 -43.07 70.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.938 . . . . 0.0 110.064 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.8 -39.17 90.67 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.599 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.09 18.08 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.99 166.15 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.466 -1.02 . . . . 0.0 110.028 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -73.43 161.55 30.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.672 0.749 . . . . 0.0 110.169 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -64.91 -38.86 92.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.518 -0.739 . . . . 0.0 109.243 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -65.26 -40.02 93.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.394 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -61.15 -43.62 98.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.363 -0.836 . . . . 0.0 109.357 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.345 -0.847 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.64 -38.96 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.414 -0.804 . . . . 0.0 109.856 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 38' ' ' SER . 36.0 t30 -63.16 -37.38 87.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 109.919 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' B' ' 43' ' ' VAL . 94.0 mt -61.47 -42.7 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.832 . . . . 0.0 109.257 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -65.17 -37.89 88.81 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.164 -0.96 . . . . 0.0 110.478 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -109.05 19.74 19.19 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.346 -0.846 . . . . 0.0 109.206 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' ASN . 7.7 t -61.33 -40.7 95.2 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 0.0 109.68 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 56.63 -88.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.573 0.701 . . . . 0.0 109.761 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' SER . 9.5 m -56.77 97.15 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.3 -0.875 . . . . 0.0 109.462 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.87 151.16 76.22 Favored Pre-proline 0 C--N 1.304 -1.405 0 O-C-N 121.48 -0.762 . . . . 0.0 109.61 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.01 152.22 80.66 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.514 2.143 . . . . 0.0 112.951 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 p -63.73 -26.64 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.87 -33.81 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.018 -1.052 . . . . 0.0 109.619 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.51 -43.97 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.22 -0.925 . . . . 0.0 108.867 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.39 -40.99 98.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.537 -0.727 . . . . 0.0 109.501 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.02 -41.46 98.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -0.849 . . . . 0.0 109.082 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.85 -43.77 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.327 -0.858 . . . . 0.0 108.841 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.82 70.36 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.36 -0.837 . . . . 0.0 108.987 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -62.9 -49.21 75.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.452 -0.78 . . . . 0.0 109.658 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.05 -21.89 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.453 -0.779 . . . . 0.0 109.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -61.91 -42.8 99.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -58.8 -33.49 70.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.603 -0.686 . . . . 0.0 109.223 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -75.52 1.6 13.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.228 -0.92 . . . . 0.0 108.643 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.94 32.54 84.36 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.91 -21.31 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.71 -1.465 . . . . 0.0 108.95 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.558 ' OD1' ' ND2' ' A' ' 59' ' ' ASN . 25.6 t0 66.84 82.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.549 0.69 . . . . 0.0 109.866 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.6 mt -92.06 -27.38 17.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.657 -0.652 . . . . 0.0 109.459 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.558 ' ND2' ' OD1' ' A' ' 57' ' ' ASP . 1.4 p-10 -43.14 -41.23 3.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -41.55 73.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.4 tt -63.06 -50.08 72.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.349 -0.844 . . . . 0.0 109.389 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.44 -0.788 . . . . 0.0 109.832 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.75 -37.53 51.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.396 -0.815 . . . . 0.0 109.912 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -71.19 -9.57 58.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.131 -0.98 . . . . 0.0 109.68 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.6 mt -99.17 -36.98 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.302 -0.874 . . . . 0.0 109.299 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 66' ' ' ILE . 2.0 mp -64.87 -44.58 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.847 . . . . 0.0 108.928 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.1 m -47.92 149.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 121.707 0.765 . . . . 0.0 110.82 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -74.01 117.19 15.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.563 -0.711 . . . . 0.0 109.819 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -137.28 -19.2 1.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.2 mt 56.09 95.48 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.513 -0.742 . . . . 0.0 109.526 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -109.38 -32.63 7.09 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.447 ' CG ' ' N ' ' A' ' 73' ' ' HIS . 2.9 p80 -171.11 -157.44 0.13 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.323 -0.861 . . . . 0.0 108.972 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.447 ' N ' ' CG ' ' A' ' 72' ' ' HIS . 3.2 m80 -137.47 151.0 48.01 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.35 -0.843 . . . . 0.0 109.713 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -101.69 119.71 39.2 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.323 -0.861 . . . . 0.0 109.905 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' HIS . 86.3 t60 -107.14 -10.69 15.8 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.406 -0.809 . . . . 0.0 108.853 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' HIS . 68.8 t60 38.01 91.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.76 -0.587 . . . . 0.0 110.608 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.433 ' C ' ' ND1' ' A' ' 77' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.439 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mmm . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.379 0.609 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.15 151.03 40.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.429 -0.794 . . . . 0.0 110.733 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.5 -43.52 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.522 -0.736 . . . . 0.0 109.791 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -66.06 -40.28 90.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.223 -0.923 . . . . 0.0 110.188 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -64.77 -45.99 84.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 110.059 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.78 -36.54 78.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.253 -0.905 . . . . 0.0 109.232 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.9 tp -62.92 -41.75 99.57 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 109.246 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.44 ' NZ ' ' NH1' ' B' ' 11' ' ' ARG . 11.5 mmtt -64.99 -37.79 88.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.458 -0.776 . . . . 0.0 110.028 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.47 -44.18 92.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.344 -0.848 . . . . 0.0 109.223 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -64.39 -43.0 95.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.16 -0.963 . . . . 0.0 110.067 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 15' ' ' SER . 43.0 ttt180 -60.91 -44.89 96.54 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.904 -1.122 . . . . 0.0 109.109 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.12 -42.3 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -45.32 78.67 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' B' ' 15' ' ' SER . 91.3 mt -92.24 -2.14 56.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.514 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.5 m 36.41 73.22 0.09 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.271 0.558 . . . . 0.0 110.236 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -101.43 138.17 38.8 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.684 0.754 . . . . 0.0 109.995 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p -82.04 136.71 35.19 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.557 0.694 . . . . 0.0 110.131 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.75 85.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.463 -0.773 . . . . 0.0 109.666 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.87 -47.64 82.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.828 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.9 -46.28 88.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 110.075 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.68 -43.51 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.28 -0.887 . . . . 0.0 109.839 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.21 86.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.438 -0.789 . . . . 0.0 109.995 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.53 -45.33 79.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.959 . . . . 0.0 109.61 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -74.44 -36.49 63.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.974 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mmm -64.65 -36.37 84.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.368 -0.832 . . . . 0.0 109.259 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.38 24.16 27.15 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.0 pt -124.62 165.38 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.494 -1.003 . . . . 0.0 109.934 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -72.69 160.43 32.23 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.454 -0.778 . . . . 0.0 110.267 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.7 -40.71 97.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.57 -0.706 . . . . 0.0 109.28 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.37 -40.96 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.422 -0.799 . . . . 0.0 109.635 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -62.45 -39.83 94.63 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 109.226 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.99 -40.98 97.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.278 -0.889 . . . . 0.0 109.328 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.12 -35.52 78.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.468 -0.77 . . . . 0.0 109.35 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.27 -39.67 93.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.335 -0.853 . . . . 0.0 109.055 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.53 -43.94 98.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.435 -0.79 . . . . 0.0 109.125 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.94 -34.35 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 109.3 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -92.72 14.94 15.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.51 -0.743 . . . . 0.0 109.09 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 35.7 t -58.03 136.28 57.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.371 -0.83 . . . . 0.0 110.125 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -105.49 -69.48 0.82 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.625 -0.672 . . . . 0.0 109.239 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -95.63 116.19 28.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.102 -0.999 . . . . 0.0 109.376 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 150.88 87.66 Favored Pre-proline 0 N--CA 1.487 1.396 0 O-C-N 121.34 -0.85 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -66.11 151.26 84.17 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.54 2.16 . . . . 0.0 112.821 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 35' ' ' ILE . 18.9 m -67.32 -19.17 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 109.969 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' ' 45' ' ' VAL . 9.3 p -56.03 -40.25 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.0 109.438 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.47 ' N ' HG13 ' B' ' 44' ' ' VAL . 89.8 t -63.89 -44.01 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.1 -41.71 99.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.361 -0.837 . . . . 0.0 109.208 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.36 -43.85 97.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.414 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.565 HG23 HD22 ' B' ' 58' ' ' LEU . 95.1 mt -63.06 -43.22 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.366 -0.834 . . . . 0.0 109.337 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.487 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -55.8 -38.54 70.08 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.272 -0.892 . . . . 0.0 109.522 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' OE1' ' A' ' 24' ' ' GLU . 10.8 t80 -62.64 -46.9 86.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.408 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.56 -40.62 93.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.3 -0.875 . . . . 0.0 109.948 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 73.1 mtm180 -64.15 -37.98 89.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.273 -0.892 . . . . 0.0 109.276 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 94.6 p -61.27 -19.05 61.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.293 -0.879 . . . . 0.0 109.33 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -94.93 2.07 55.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.264 -0.897 . . . . 0.0 108.932 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' B' ' 57' ' ' ASP . . . 73.89 25.04 72.68 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.772 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.562 ' O ' HG12 ' B' ' 56' ' ' VAL . 54.9 t -60.77 -2.94 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.643 -1.504 . . . . 0.0 109.617 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' B' ' 55' ' ' GLY . 17.4 m-20 57.62 69.94 0.7 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.642 -0.661 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.565 HD22 HG23 ' B' ' 48' ' ' ILE . 4.4 tp -77.57 -1.26 29.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.374 -0.829 . . . . 0.0 108.893 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -63.0 -41.91 99.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.604 -0.685 . . . . 0.0 109.623 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.12 75.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 110.319 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.64 -51.26 70.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.159 -0.963 . . . . 0.0 109.899 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.88 -38.41 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.373 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.53 -22.84 56.67 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.2 -0.937 . . . . 0.0 108.558 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -86.87 -30.13 21.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.979 -1.075 . . . . 0.0 109.601 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.505 ' C ' ' H ' ' B' ' 67' ' ' VAL . 29.6 mm -72.55 -43.11 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 120.976 -1.077 . . . . 0.0 110.169 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' B' ' 67' ' ' VAL . 35.5 pt -55.85 -3.66 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.365 -0.834 . . . . 0.0 109.783 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.564 HG22 ' H ' ' B' ' 69' ' ' LYS . 6.9 p -42.32 126.42 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.463 -0.773 . . . . 0.0 110.53 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -91.33 14.06 15.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.49 -0.756 . . . . 0.0 109.004 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.564 ' H ' HG22 ' B' ' 67' ' ' VAL . 98.4 mttt -81.87 99.94 9.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -0.895 . . . . 0.0 109.54 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' B' ' 69' ' ' LYS . 84.3 mt 39.43 85.86 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 121.55 0.69 . . . . 0.0 110.175 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.536 ' C ' ' H ' ' B' ' 73' ' ' HIS . 81.1 mt-10 -90.63 1.53 56.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.585 -0.697 . . . . 0.0 109.678 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -68.17 12.4 0.12 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.118 -0.989 . . . . 0.0 109.407 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.536 ' H ' ' C ' ' B' ' 71' ' ' GLU . 38.1 m170 -80.47 -9.68 59.76 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.271 -0.893 . . . . 0.0 108.821 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -96.55 101.11 12.67 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.461 -0.774 . . . . 0.0 110.135 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -92.21 122.08 34.35 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' B' ' 77' ' ' HIS . 0.0 OUTLIER -167.23 143.72 4.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.022 -1.049 . . . . 0.0 109.046 179.526 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.473 ' O ' ' CE1' ' B' ' 76' ' ' HIS . 65.9 t-80 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.532 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.565 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.0 mpp? . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.483 0.658 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 61.4 144.57 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.706 0.765 . . . . 0.0 110.503 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.97 -39.38 94.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.757 -0.59 . . . . 0.0 110.423 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -55.48 -38.2 68.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.946 . . . . 0.0 110.29 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -63.9 -46.4 85.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.886 -1.134 . . . . 0.0 109.52 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -70.89 -42.24 70.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.144 -0.972 . . . . 0.0 109.222 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.34 -41.33 98.87 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.144 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.17 -39.08 85.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.0 109.262 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.5 -44.53 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.913 . . . . 0.0 109.096 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -56.52 -41.8 77.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.216 -0.927 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -59.18 -44.53 92.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.046 -1.033 . . . . 0.0 108.497 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.39 -25.44 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.618 -0.676 . . . . 0.0 109.585 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -59.11 -44.58 92.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.749 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 15' ' ' SER . 96.5 mt -101.44 2.35 39.26 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 p 47.62 77.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.378 -0.826 . . . . 0.0 110.629 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.71 157.77 15.75 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -102.68 133.86 47.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.625 -0.672 . . . . 0.0 109.284 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.24 90.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 0.0 109.807 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.19 -47.04 84.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.208 -0.933 . . . . 0.0 110.204 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -61.18 -44.3 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.11 -0.994 . . . . 0.0 110.167 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -62.92 -46.51 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.041 -1.037 . . . . 0.0 109.936 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.45 91.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.943 . . . . 0.0 109.933 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -68.88 -43.39 75.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.099 -1.0 . . . . 0.0 109.94 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -67.45 -45.41 76.09 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.154 -0.966 . . . . 0.0 110.147 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.0 mtp -65.51 -39.0 91.33 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.28 -0.888 . . . . 0.0 109.755 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.68 27.48 6.71 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 pt -125.23 162.87 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.543 -0.975 . . . . 0.0 109.434 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -75.7 157.73 33.23 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 110.049 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 54.7 mtm180 -65.07 -26.71 68.36 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.492 -0.755 . . . . 0.0 109.231 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.41 -44.82 96.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 109.065 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.97 -43.6 87.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.1 -41.38 97.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.356 -0.84 . . . . 0.0 109.12 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 97.1 m -62.22 -34.16 75.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.058 . . . . 0.0 109.745 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.47 -44.7 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.962 . . . . 0.0 109.474 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.39 -35.69 73.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -96.76 38.54 1.21 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.856 . . . . 0.0 110.27 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -159.15 124.75 4.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.0 -69.26 0.73 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.248 -0.907 . . . . 0.0 110.079 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 28.5 p -37.39 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.453 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.64 153.91 41.14 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.578 -0.701 . . . . 0.0 109.139 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.06 151.66 84.36 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.765 2.31 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.39 -18.67 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.498 -0.751 . . . . 0.0 110.26 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 45' ' ' VAL . 9.9 p -55.77 -40.38 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.959 . . . . 0.0 109.281 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.464 ' N ' HG13 ' A' ' 44' ' ' VAL . 90.5 t -62.65 -46.03 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.209 -0.932 . . . . 0.0 109.084 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.28 -38.46 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.334 -0.854 . . . . 0.0 109.051 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.94 -41.65 87.92 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 109.124 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.31 -43.77 98.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.174 -0.954 . . . . 0.0 109.113 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -36.69 80.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.283 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CE2' HG22 ' B' ' 21' ' ' VAL . 46.7 t80 -60.61 -46.39 90.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.178 -0.951 . . . . 0.0 109.367 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.5 mt -62.62 -42.1 99.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 0.0 109.15 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 HH12 HD22 ' B' ' 59' ' ' ASN . 29.6 ttm180 -60.94 -41.98 97.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 109.386 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 t -59.0 -18.55 35.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.893 . . . . 0.0 109.325 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -93.23 2.64 56.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.309 -0.87 . . . . 0.0 108.956 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.98 9.93 61.8 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.88 133.59 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.941 -1.329 . . . . 0.0 109.149 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.84 111.21 20.55 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 110.409 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 58' ' ' LEU . 3.3 mm? -90.63 -10.91 41.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.413 -0.804 . . . . 0.0 109.191 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 7.1 p30 -63.51 -39.54 94.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.801 . . . . 0.0 109.257 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.977 . . . . 0.0 109.576 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' B' ' 6' ' ' GLU . 4.0 mm? -62.72 -44.91 94.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.363 -0.836 . . . . 0.0 109.933 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.45 -43.14 73.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 0.0 109.688 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.88 -36.68 84.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -44.54 96.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.557 -0.714 . . . . 0.0 109.2 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.6 mt -71.91 -70.99 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.0 110.081 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.8 pt -81.07 132.55 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.288 -0.883 . . . . 0.0 109.785 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.05 131.97 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.511 -0.743 . . . . 0.0 109.556 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -68.84 -176.15 0.8 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.492 -0.755 . . . . 0.0 110.515 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.5 tttp 58.96 77.91 0.28 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.341 0.591 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.8 tp -89.4 -72.59 0.55 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.29 -0.882 . . . . 0.0 109.54 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 56.43 167.05 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.26 0.552 . . . . 0.0 109.927 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -118.67 123.42 44.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.697 -0.627 . . . . 0.0 110.012 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -153.27 -91.52 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -91.53 131.48 36.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.839 . . . . 0.0 108.891 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.47 124.9 35.17 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.367 -0.833 . . . . 0.0 109.412 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -67.67 -39.83 84.49 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.415 ' OXT' ' CG ' ' A' ' 77' ' ' HIS . 85.8 t60 . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.555 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ptp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.7 140.14 51.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.418 -0.801 . . . . 0.0 110.631 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.56 -41.82 98.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.693 . . . . 0.0 109.718 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -58.26 -43.05 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.184 -0.948 . . . . 0.0 109.501 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.402 ' O ' HG23 ' B' ' 9' ' ' VAL . 33.9 t30 -62.92 -44.0 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.979 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.551 ' HG2' HD11 ' A' ' 61' ' ' LEU . 48.1 tp10 -70.4 -32.52 70.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.051 -1.031 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 51' ' ' LEU . 51.9 tp -61.22 -45.64 93.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 109.218 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.62 -37.71 88.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.534 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 5' ' ' ASN . 71.6 t -60.39 -44.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.02 -1.05 . . . . 0.0 109.846 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -61.6 -35.56 78.2 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.893 -1.13 . . . . 0.0 109.115 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -59.69 -44.59 93.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.56 -44.55 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -63.3 -36.2 82.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.336 -0.852 . . . . 0.0 109.167 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' B' ' 15' ' ' SER . 63.4 mt -79.28 -4.93 53.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.404 ' C ' ' O ' ' B' ' 14' ' ' LEU . 3.1 t 38.63 57.0 1.84 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 122.004 -0.435 . . . . 0.0 110.134 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.692 HD12 ' C ' ' B' ' 16' ' ' LEU . 3.5 pp -106.34 150.81 25.61 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.574 -0.704 . . . . 0.0 109.992 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -94.03 137.85 32.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.24 -0.913 . . . . 0.0 110.42 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.21 83.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.612 -0.68 . . . . 0.0 109.864 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.06 -44.33 97.55 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.126 -0.984 . . . . 0.0 109.83 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -62.14 -44.37 96.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.462 HG22 ' CE2' ' A' ' 50' ' ' PHE . 77.4 t -64.32 -44.41 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.779 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.78 82.68 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.42 -45.86 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.006 -1.059 . . . . 0.0 110.598 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.85 -46.64 77.73 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.142 -0.974 . . . . 0.0 110.341 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.461 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 93.8 mtp -66.06 -38.88 89.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.354 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.44 32.37 6.37 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -126.35 163.27 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.517 -0.99 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -79.81 158.6 26.77 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.793 0.806 . . . . 0.0 110.245 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.8 mtm-85 -62.0 -35.83 79.71 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.516 -0.74 . . . . 0.0 109.267 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.87 -40.72 94.01 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.679 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.89 -45.88 90.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.081 -1.012 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.06 -40.45 96.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.483 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.94 -36.06 76.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.299 -0.876 . . . . 0.0 109.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -62.31 -40.39 96.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.827 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.13 -43.55 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.507 -0.746 . . . . 0.0 109.757 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.38 -36.4 80.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.5 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.61 0.28 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.136 -0.977 . . . . 0.0 109.392 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -71.63 139.47 49.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.576 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -104.37 -48.27 3.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.347 -0.845 . . . . 0.0 108.798 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -105.89 162.53 13.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.98 142.71 25.17 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.332 -0.855 . . . . 0.0 109.128 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -66.16 160.35 45.28 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.116 1.877 . . . . 0.0 112.395 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.419 ' H ' HG22 ' B' ' 43' ' ' VAL . 12.8 m -63.16 -31.23 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.403 -0.811 . . . . 0.0 110.814 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 45' ' ' VAL . 14.6 p -46.47 -37.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.504 ' N ' HG13 ' B' ' 44' ' ' VAL . 79.7 t -65.07 -44.02 95.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.62 -33.0 74.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -57.8 -46.14 85.08 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.01 91.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.254 -0.904 . . . . 0.0 110.312 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.0 -48.01 82.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.053 -1.029 . . . . 0.0 109.64 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.9 -41.33 99.4 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.097 -1.002 . . . . 0.0 109.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 52' ' ' ARG . 26.8 mtp85 -62.69 -36.1 81.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.667 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 55.8 p -58.92 -19.2 40.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.246 -0.909 . . . . 0.0 108.712 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -97.09 -1.15 45.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.351 -0.843 . . . . 0.0 109.119 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLY . . . . . 0.475 ' O ' ' OD2' ' B' ' 57' ' ' ASP . . . 84.08 23.95 50.16 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.296 -0.954 . . . . 0.0 110.9 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.38 -45.57 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.903 -1.351 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 55' ' ' GLY . 1.1 m-20 65.38 61.74 0.7 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.339 -0.851 . . . . 0.0 109.684 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.588 ' H ' HD23 ' B' ' 58' ' ' LEU . 0.3 OUTLIER -88.52 -2.43 58.59 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.073 -1.017 . . . . 0.0 108.906 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -56.23 -50.75 70.4 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.357 -0.84 . . . . 0.0 108.923 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.89 -21.97 50.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.171 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.99 -53.58 55.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.029 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -85.26 -23.63 28.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.813 -1.179 . . . . 0.0 110.318 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.1 -34.7 57.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.762 -1.211 . . . . 0.0 109.032 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -59.15 -33.4 70.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.023 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.8 -44.47 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.266 -0.896 . . . . 0.0 109.952 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.79 127.4 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.953 . . . . 0.0 109.691 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -84.43 130.12 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.463 -0.773 . . . . 0.0 110.074 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' B' ' 69' ' ' LYS . 38.6 t-20 -83.35 137.08 34.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.504 -0.748 . . . . 0.0 110.76 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' B' ' 68' ' ' ASN . 58.7 tttp 56.84 110.56 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.333 -0.855 . . . . 0.0 109.971 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.514 HD22 ' N ' ' B' ' 70' ' ' LEU . 3.7 mm? -89.01 137.67 32.1 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.363 -0.836 . . . . 0.0 109.833 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 72' ' ' HIS . 98.5 mt-10 -143.46 -114.9 0.1 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.366 -0.834 . . . . 0.0 109.119 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' B' ' 71' ' ' GLU . 8.2 m80 59.75 136.41 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.315 -0.866 . . . . 0.0 110.455 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' B' ' 74' ' ' HIS . 3.1 m80 -56.19 -78.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.44 -0.788 . . . . 0.0 110.585 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' B' ' 73' ' ' HIS . 19.0 m80 -45.1 -94.44 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.0 110.151 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.435 ' H ' ' H ' ' B' ' 76' ' ' HIS . 0.1 OUTLIER 171.94 -5.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.435 ' H ' ' H ' ' B' ' 75' ' ' HIS . 0.3 OUTLIER 49.35 14.69 0.1 Allowed 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' B' ' 75' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.185 -0.947 . . . . 0.0 109.332 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 53.07 -105.56 0.25 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 110.822 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -60.72 -46.32 90.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.258 -0.901 . . . . 0.0 109.196 -178.455 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.7 t -63.5 -42.0 98.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.131 -0.981 . . . . 0.0 109.313 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -62.26 -40.62 96.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.534 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.28 -50.88 71.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.046 . . . . 0.0 110.361 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.7 mp -63.14 -41.54 99.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.969 -1.082 . . . . 0.0 109.245 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.29 -42.15 99.1 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.64 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 5' ' ' ASN . 50.9 t -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.93 . . . . 0.0 110.201 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.14 -38.64 91.97 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 109.355 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.514 ' NH1' ' CD ' ' A' ' 36' ' ' GLU . 49.8 ttt180 -59.17 -42.45 90.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.576 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.79 -42.51 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.712 -0.618 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -54.66 -44.3 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.015 -1.053 . . . . 0.0 110.017 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.34 -4.23 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.006 -1.059 . . . . 0.0 108.575 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t 50.54 75.94 0.16 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 110.717 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.92 137.01 49.08 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.0 p -86.58 158.75 19.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.471 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.64 81.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.0 109.277 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.02 -45.94 89.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.452 -0.78 . . . . 0.0 110.128 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.4 m -60.45 -45.97 91.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.953 -1.092 . . . . 0.0 109.658 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.05 -44.82 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.597 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.84 92.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.4 -41.28 89.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.865 . . . . 0.0 108.967 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.96 -52.83 17.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -0.923 . . . . 0.0 109.297 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.3 mtp -65.84 -39.4 90.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.404 -0.81 . . . . 0.0 109.572 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.26 40.36 6.98 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 pt -127.04 164.79 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.439 -1.036 . . . . 0.0 109.979 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 154.69 40.95 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.222 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -64.56 -37.31 87.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.455 -0.778 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.46 -41.88 95.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 109.549 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.44 -40.96 98.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 0.0 109.081 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.31 -39.91 95.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.281 -0.887 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.0 m -57.0 -42.51 80.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.104 -0.998 . . . . 0.0 109.202 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -64.61 -41.69 96.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.268 -0.895 . . . . 0.0 109.408 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.21 -43.39 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.701 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' CD ' ' NH1' ' A' ' 11' ' ' ARG . 27.0 mt-10 -54.85 -46.03 74.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.195 -0.94 . . . . 0.0 109.592 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' SER . 15.8 pt20 -93.7 21.31 6.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 108.969 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 p -41.93 103.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.561 -0.712 . . . . 0.0 109.782 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.18 -81.45 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.504 -0.747 . . . . 0.0 109.716 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.2 t -103.04 161.08 14.06 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.356 -0.84 . . . . 0.0 109.789 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . . . -87.27 149.33 46.86 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.121 -0.987 . . . . 0.0 109.4 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.87 165.22 31.84 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.556 2.171 . . . . 0.0 112.17 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 m -59.49 -28.51 40.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.413 -0.804 . . . . 0.0 109.809 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.34 -46.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.053 -1.03 . . . . 0.0 109.952 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.2 -43.68 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.08 -1.013 . . . . 0.0 109.631 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' NZ ' ' O ' ' A' ' 41' ' ' ALA . 63.3 mttp -60.7 -42.41 97.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -61.9 -42.78 99.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.195 -0.941 . . . . 0.0 109.315 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.432 ' CG2' HD22 ' A' ' 58' ' ' LEU . 93.3 mt -62.37 -43.84 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 0.0 109.2 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -35.19 76.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.203 -0.936 . . . . 0.0 108.911 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -60.38 -46.39 90.12 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.0 -40.98 99.39 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -62.34 -37.06 84.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.0 109.504 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -61.73 -19.13 62.09 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.186 -0.946 . . . . 0.0 109.159 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -95.27 0.38 53.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.191 -0.943 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.29 27.73 47.42 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 120.026 -1.083 . . . . 0.0 110.835 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.01 -22.04 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.805 -1.409 . . . . 0.0 109.161 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 63.7 68.91 0.57 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.523 0.677 . . . . 0.0 109.889 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.507 HD21 ' CE1' ' A' ' 62' ' ' PHE . 5.4 tp -62.92 -38.34 90.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.613 -0.679 . . . . 0.0 109.782 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' LEU . 46.0 m-80 -34.35 -54.13 0.51 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.254 0.549 . . . . 0.0 110.834 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.96 80.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' LEU . 5.6 tt -60.65 -48.51 81.45 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.019 -1.051 . . . . 0.0 110.315 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 58' ' ' LEU . 3.4 m-30 -73.84 -39.99 63.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.943 -1.098 . . . . 0.0 109.635 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.1 -18.01 59.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -18.56 61.99 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -95.19 -60.28 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.472 ' O ' ' O ' ' A' ' 67' ' ' VAL . 32.3 pt -69.95 -22.29 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 109.666 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 66' ' ' ILE . 46.2 t 56.53 122.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 CA-C-O 121.614 0.721 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 4.3 p-10 -34.49 132.24 0.3 Allowed 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.494 0.664 . . . . 0.0 110.987 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -93.18 111.88 23.66 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.227 -0.921 . . . . 0.0 109.454 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.516 ' CG ' ' H ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -151.35 -110.61 0.05 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.525 -0.734 . . . . 0.0 109.439 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' H ' ' CG ' ' A' ' 70' ' ' LEU . 3.5 tt0 80.4 86.94 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.463 0.649 . . . . 0.0 110.586 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.642 ' CD2' ' N ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -108.99 105.03 14.38 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 74' ' ' HIS . 0.2 OUTLIER -83.23 54.06 2.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.089 -1.007 . . . . 0.0 110.528 -178.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.632 ' ND1' ' N ' ' A' ' 75' ' ' HIS . 13.4 t-80 -27.61 -97.21 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.615 0 CA-C-O 121.004 0.431 . . . . 0.0 111.359 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.632 ' N ' ' ND1' ' A' ' 74' ' ' HIS . 42.0 m80 -157.32 -49.69 0.07 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.843 -1.161 . . . . 0.0 108.813 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -100.55 -8.71 22.77 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.463 -0.773 . . . . 0.0 109.425 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.62 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 58.26 110.44 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.45 -0.781 . . . . 0.0 109.84 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.428 HD23 ' OE1' ' B' ' 6' ' ' GLU . 12.3 mt -63.77 -37.89 89.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.369 -0.832 . . . . 0.0 109.825 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.4 t -56.97 -45.27 83.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.025 -1.047 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -65.66 -39.36 91.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.101 -0.999 . . . . 0.0 109.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.428 ' OE1' HD23 ' B' ' 3' ' ' LEU . 74.0 mt-10 -57.44 -51.88 67.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.083 -1.011 . . . . 0.0 110.68 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.432 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.5 mp -63.03 -40.25 97.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.027 -1.046 . . . . 0.0 109.208 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.21 -43.8 92.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 109.71 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.09 -44.55 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.224 -0.923 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -65.14 -42.59 93.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.044 -1.035 . . . . 0.0 110.308 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' B' ' 15' ' ' SER . 54.8 ttp180 -60.5 -46.55 89.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.96 -43.15 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.703 -0.623 . . . . 0.0 109.895 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -57.76 -45.02 86.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.207 -0.933 . . . . 0.0 109.244 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 83.3 mt -92.84 -0.95 57.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.191 -0.943 . . . . 0.0 108.506 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.426 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 40.8 81.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.844 -0.535 . . . . 0.0 110.992 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.74 140.42 35.04 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.286 -0.884 . . . . 0.0 109.029 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -87.76 134.26 33.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.399 -0.813 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.39 83.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.472 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.56 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 68.1 mttm -62.92 -46.82 86.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.97 -1.081 . . . . 0.0 109.971 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.5 t -65.09 -46.31 81.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.114 -0.991 . . . . 0.0 109.832 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.32 -46.06 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.831 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.73 93.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 110.283 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.42 -45.52 83.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -69.8 -42.61 73.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.315 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 73.3 mmm -65.8 -39.68 91.18 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.506 -0.746 . . . . 0.0 109.459 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.65 9.07 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.12 168.06 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 O-C-N 121.344 -1.092 . . . . 0.0 110.238 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -70.93 154.01 42.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.56 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 76.8 mtm180 -65.02 -37.02 86.27 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 108.912 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.31 -42.15 98.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.959 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.18 -43.03 96.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.03 -43.21 99.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 109.126 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -31.24 72.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.187 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -62.36 -42.37 99.35 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.073 -1.017 . . . . 0.0 110.379 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' B' ' 40' ' ' THR . 95.4 mt -61.29 -70.01 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.467 -0.771 . . . . 0.0 111.968 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -52.77 -28.7 23.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.398 -0.813 . . . . 0.0 110.983 -177.684 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -96.77 -1.88 45.43 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.714 -1.241 . . . . 0.0 110.821 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 177.88 155.06 0.34 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.873 -1.142 . . . . 0.0 109.539 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 49.08 94.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.828 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' ILE . 53.0 p -132.6 -12.4 3.03 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.374 -0.828 . . . . 0.0 109.445 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.59 81.2 64.84 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.459 -0.775 . . . . 0.0 109.781 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.24 -179.63 5.62 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.328 2.019 . . . . 0.0 112.289 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.33 -33.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.336 -0.853 . . . . 0.0 109.946 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.84 -46.54 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.045 . . . . 0.0 109.846 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.99 -42.03 93.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.0 109.539 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.23 -40.13 80.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.077 -1.014 . . . . 0.0 109.164 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -61.12 -48.55 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.181 -0.95 . . . . 0.0 109.613 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.618 HG22 HD22 ' B' ' 58' ' ' LEU . 50.2 mt -63.9 -45.87 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.95 -1.094 . . . . 0.0 108.937 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.2 75.02 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.222 -0.924 . . . . 0.0 109.321 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -57.34 -44.56 84.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.63 -39.43 93.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' H ' ' B' ' 57' ' ' ASP . 48.7 ttp180 -60.09 -40.2 88.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.281 -0.887 . . . . 0.0 110.173 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -61.36 -16.35 45.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.142 -0.974 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -93.26 1.25 57.11 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.233 -0.917 . . . . 0.0 110.094 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.52 1.53 57.75 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.67 -41.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.999 -1.295 . . . . 0.0 109.406 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.467 ' H ' ' HA ' ' B' ' 52' ' ' ARG . 83.8 m-20 60.68 87.2 0.09 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.657 0.742 . . . . 0.0 110.328 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.618 HD22 HG22 ' B' ' 48' ' ' ILE . 2.9 pp -69.38 -37.26 77.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.63 -0.669 . . . . 0.0 110.37 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' B' ' 58' ' ' LEU . 12.8 p-10 -41.57 -53.48 3.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.202 -0.936 . . . . 0.0 110.749 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.81 85.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.132 -0.98 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.581 ' O ' HD23 ' B' ' 61' ' ' LEU . 3.0 tt -60.0 -47.07 87.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.218 -0.926 . . . . 0.0 108.644 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' B' ' 65' ' ' ILE . 2.3 m-85 -70.07 -32.54 70.68 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.144 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -49.11 -34.57 14.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.34 -41.16 84.04 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' B' ' 62' ' ' PHE . 60.8 mt -63.45 -44.24 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.451 -0.781 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.509 HG22 ' N ' ' B' ' 67' ' ' VAL . 96.6 mt -74.51 162.08 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.174 -0.954 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.509 ' N ' HG22 ' B' ' 66' ' ' ILE . 7.1 p -174.33 150.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.306 -0.871 . . . . 0.0 110.107 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.534 HD21 ' CD2' ' B' ' 72' ' ' HIS . 29.4 p-10 -60.56 164.54 4.44 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.685 -1.26 . . . . 0.0 109.023 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -116.44 69.21 0.74 Allowed 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.383 -0.823 . . . . 0.0 109.996 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.586 ' N ' HD12 ' B' ' 70' ' ' LEU . 9.5 mp 48.48 -165.77 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.421 -0.8 . . . . 0.0 110.424 178.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' B' ' 70' ' ' LEU . 3.0 tp10 81.81 15.77 0.49 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.534 ' CD2' HD21 ' B' ' 68' ' ' ASN . 1.2 m-70 -81.43 113.36 19.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.184 -0.947 . . . . 0.0 109.789 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' B' ' 74' ' ' HIS . 17.8 p80 -90.68 17.08 8.02 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' B' ' 73' ' ' HIS . 2.1 t-160 -33.03 151.5 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.47 0.653 . . . . 0.0 110.903 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' B' ' 77' ' ' HIS . 3.0 p80 -146.27 173.35 12.32 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 57.58 -79.23 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.389 -0.819 . . . . 0.0 109.647 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' B' ' 75' ' ' HIS . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.755 0 O-C-N 120.941 -1.1 . . . . 0.0 109.581 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.239 0.542 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -70.08 141.89 52.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.45 -45.1 94.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.446 -0.784 . . . . 0.0 110.365 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 m -60.44 -36.75 78.96 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.226 -0.921 . . . . 0.0 109.698 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.674 ' O ' HG23 ' A' ' 9' ' ' VAL . 56.5 t30 -61.8 -45.5 93.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.344 -0.847 . . . . 0.0 109.862 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -70.87 -42.05 70.59 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.157 -0.964 . . . . 0.0 109.678 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.41 -45.0 95.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.838 . . . . 0.0 110.436 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' NZ ' ' OD1' ' A' ' 5' ' ' ASN . 9.5 pttm -65.4 -34.15 77.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.0 109.386 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 5' ' ' ASN . 38.8 t -58.52 -46.25 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.408 -0.807 . . . . 0.0 109.326 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.55 -45.6 86.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.86 -1.15 . . . . 0.0 109.574 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -59.59 -44.85 93.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 109.571 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.96 -43.34 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.463 -0.773 . . . . 0.0 109.484 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -58.41 -44.71 89.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 109.7 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.7 mt -89.66 -1.49 58.03 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.246 -0.908 . . . . 0.0 109.147 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.2 p 41.55 73.71 0.12 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.646 -0.659 . . . . 0.0 109.65 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -98.9 136.15 39.31 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.327 -0.858 . . . . 0.0 109.822 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -89.03 134.79 33.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.501 -0.75 . . . . 0.0 109.721 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.28 83.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.43 -0.794 . . . . 0.0 109.68 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -62.75 -46.27 88.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.817 . . . . 0.0 109.771 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -60.59 -44.83 95.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.718 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.61 -43.55 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.329 -0.857 . . . . 0.0 109.437 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.47 86.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 110.273 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.29 -38.33 89.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.488 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.5 -51.0 26.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.275 -0.89 . . . . 0.0 109.863 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.68 -39.12 93.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.413 -0.804 . . . . 0.0 109.599 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.2 30.36 7.06 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -126.63 167.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.449 -1.03 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 p -75.12 154.47 37.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 110.356 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -65.52 -39.0 91.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 109.266 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -57.0 -42.11 79.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.01 -40.24 97.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.22 -0.925 . . . . 0.0 109.253 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.96 -42.12 98.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.404 -0.81 . . . . 0.0 109.497 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 99.0 m -60.94 -36.28 78.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.359 -0.838 . . . . 0.0 109.412 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -64.16 -37.0 85.89 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.18 -44.61 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.966 . . . . 0.0 110.096 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.13 -32.7 72.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 108.955 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -82.57 20.23 1.15 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.358 -0.839 . . . . 0.0 109.301 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 40' ' ' THR . 73.7 m -73.02 -7.14 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.261 -0.9 . . . . 0.0 109.099 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 47.94 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.695 -0.628 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 38' ' ' SER . 13.1 t -98.22 136.53 38.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.121 -0.987 . . . . 0.0 109.429 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 152.15 94.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.918 . . . . 0.0 109.979 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.81 160.49 47.77 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.759 2.306 . . . . 0.0 112.754 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 43' ' ' VAL . 5.7 m -59.8 -20.55 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.377 -0.827 . . . . 0.0 109.136 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.11 -45.52 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.344 -0.847 . . . . 0.0 108.982 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.319 -0.863 . . . . 0.0 108.977 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.75 -39.21 93.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.37 -0.831 . . . . 0.0 109.258 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -60.0 -41.21 91.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.219 -0.926 . . . . 0.0 109.168 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.14 -43.15 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.352 -0.842 . . . . 0.0 109.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.42 -34.77 71.16 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.188 -0.945 . . . . 0.0 109.158 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.39 -48.37 81.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.11 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' CD1' HD11 ' B' ' 7' ' ' LEU . 98.7 mt -63.69 -41.37 98.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.343 -0.848 . . . . 0.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -43.39 93.23 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 m -60.52 -33.42 72.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.552 -0.717 . . . . 0.0 109.381 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -74.49 3.97 6.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.345 -0.847 . . . . 0.0 109.047 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.77 17.18 79.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.7 t -65.44 134.04 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.251 . . . . 0.0 109.437 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.6 64.37 0.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 109.934 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' VAL . 6.1 tp -66.11 -32.76 74.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.666 -0.646 . . . . 0.0 109.266 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.27 -42.77 82.22 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.34 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.26 -46.51 90.08 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.091 -1.006 . . . . 0.0 109.65 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.0 -40.05 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.416 -0.802 . . . . 0.0 110.159 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.21 -47.02 54.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.339 -0.851 . . . . 0.0 110.023 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -68.38 -37.81 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.849 -1.157 . . . . 0.0 109.747 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.11 -43.95 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 0.0 109.407 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -88.64 117.71 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.175 -0.953 . . . . 0.0 109.522 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.6 m -110.52 128.67 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.307 -0.871 . . . . 0.0 109.891 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -89.99 -167.89 1.97 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.395 -0.816 . . . . 0.0 109.623 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -80.34 100.65 8.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.326 -0.859 . . . . 0.0 109.586 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.29 124.07 2.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 0.0 108.862 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -109.01 -1.88 18.61 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.469 ' ND1' ' C ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -155.99 -153.42 0.43 Allowed 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 122.379 1.085 . . . . 0.0 110.915 -178.585 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.438 ' N ' ' CG ' ' A' ' 72' ' ' HIS . 56.6 t-80 41.65 88.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.895 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -84.12 156.67 22.02 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 30.7 t-80 -93.37 64.73 3.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.073 -1.017 . . . . 0.0 109.715 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.519 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 0.2 OUTLIER 57.04 127.98 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.753 0.787 . . . . 0.0 110.258 179.478 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 76' ' ' HIS . 35.8 m80 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.11 -0.994 . . . . 0.0 109.117 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.53 135.18 51.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.194 -0.941 . . . . 0.0 110.016 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.12 -42.82 96.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.413 -0.804 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.4 t -60.9 -40.69 94.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.327 -0.858 . . . . 0.0 109.858 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.449 ' O ' HG23 ' B' ' 9' ' ' VAL . 61.1 t-20 -61.11 -47.29 86.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.222 -0.924 . . . . 0.0 110.034 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 33.1 mm-40 -69.86 -42.07 74.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 51' ' ' LEU . 47.1 tp -62.97 -42.38 99.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.487 -0.758 . . . . 0.0 109.547 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.482 ' NZ ' HH21 ' B' ' 11' ' ' ARG . 63.7 tttp -62.87 -37.97 89.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 109.828 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 5' ' ' ASN . 54.4 t -60.93 -46.65 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 3.5 mp0 -67.76 -39.21 84.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.25 -0.906 . . . . 0.0 109.647 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.482 HH21 ' NZ ' ' B' ' 8' ' ' LYS . 3.5 tmm_? -57.0 -45.03 83.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.178 -0.951 . . . . 0.0 108.69 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.15 -46.33 90.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.249 -0.907 . . . . 0.0 109.761 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' B' ' 14' ' ' LEU . 3.4 mm? -80.84 -2.72 48.5 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.993 -1.067 . . . . 0.0 108.636 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.429 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.2 m 36.8 57.56 1.15 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.237 0.541 . . . . 0.0 109.72 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.52 147.16 33.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.256 -0.902 . . . . 0.0 110.041 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p -97.62 139.9 32.83 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 110.01 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.59 88.13 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 0.0 110.1 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -62.44 -47.49 83.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.3 -0.875 . . . . 0.0 109.871 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -62.03 -44.09 97.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 109.643 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.02 -43.53 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.393 -0.817 . . . . 0.0 109.449 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.51 92.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 110.352 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -65.93 -40.32 91.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.923 -1.111 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.06 -56.35 10.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.21 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 83.6 mtp -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.408 -0.807 . . . . 0.0 109.404 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.26 36.76 6.48 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -126.28 167.36 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.46 -1.024 . . . . 0.0 110.158 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -73.39 161.94 29.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.404 -0.81 . . . . 0.0 110.296 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -65.02 -39.91 94.07 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -65.04 -38.02 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -62.28 -38.87 90.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 0.0 109.002 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.35 -42.24 99.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.302 -0.874 . . . . 0.0 109.402 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.1 m -60.66 -37.1 80.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -64.56 -36.73 85.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.348 -0.845 . . . . 0.0 109.535 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.01 -43.03 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 108.957 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' B' ' 38' ' ' SER . 68.0 mt-10 -64.98 -36.31 83.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.543 -0.723 . . . . 0.0 109.251 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.27 36.75 0.1 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.479 ' H ' ' C ' ' B' ' 36' ' ' GLU . 47.8 t -70.14 100.24 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 40' ' ' THR . 65.5 mm-40 -67.38 99.86 0.77 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.195 -0.94 . . . . 0.0 108.79 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' O ' ' B' ' 39' ' ' GLU . 88.0 m 59.68 143.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.34 0.59 . . . . 0.0 109.467 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.4 142.68 89.62 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.307 -0.871 . . . . 0.0 110.381 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.14 161.37 43.36 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.638 2.226 . . . . 0.0 112.952 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.44 -20.39 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.823 . . . . 0.0 109.517 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.39 -45.59 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -43.03 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -60.37 -37.69 81.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.85 -43.17 90.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.959 . . . . 0.0 108.952 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.78 -42.46 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.6 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.437 -0.789 . . . . 0.0 109.065 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -62.17 -48.15 81.34 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.437 HD22 ' N ' ' B' ' 51' ' ' LEU . 3.8 mm? -65.09 -42.54 93.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.427 -0.796 . . . . 0.0 109.16 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -66.11 -38.79 89.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.401 -0.812 . . . . 0.0 109.331 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -55.33 -33.86 63.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 0.0 109.83 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -83.44 2.66 35.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.106 -0.997 . . . . 0.0 109.452 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.48 26.79 69.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' B' ' 58' ' ' LEU . 54.4 t -68.19 135.09 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.302 . . . . 0.0 109.479 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -47.52 83.7 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.723 -0.611 . . . . 0.0 110.365 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' B' ' 56' ' ' VAL . 57.3 tp -91.73 -42.65 10.02 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.338 -0.851 . . . . 0.0 109.699 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -54.54 28.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 109.645 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.16 95.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.065 -1.022 . . . . 0.0 109.475 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tp -41.57 -57.9 2.1 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.691 -0.631 . . . . 0.0 110.268 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.69 -44.49 93.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.324 -0.86 . . . . 0.0 109.532 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -44.6 -33.74 1.9 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.503 -0.748 . . . . 0.0 109.927 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -65.09 -42.49 94.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.264 -0.897 . . . . 0.0 109.153 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.14 -44.03 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 0.0 110.27 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 24.1 pt -90.19 133.35 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.186 -0.946 . . . . 0.0 111.203 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 92.7 t -78.72 -21.15 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.775 . . . . 0.0 109.228 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' B' ' 70' ' ' LEU . 7.4 t-20 60.93 33.44 19.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.613 -0.679 . . . . 0.0 109.334 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 68' ' ' ASN . 52.3 mtmt 39.61 25.1 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.667 -0.645 . . . . 0.0 109.705 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 68' ' ' ASN . 56.3 tp -66.05 105.47 1.36 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.364 -0.835 . . . . 0.0 109.574 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.504 ' C ' ' CG ' ' B' ' 72' ' ' HIS . 45.9 mt-10 -102.3 124.8 48.52 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.49 -0.756 . . . . 0.0 110.247 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.504 ' CG ' ' C ' ' B' ' 71' ' ' GLU . 1.1 m170 73.96 170.21 0.3 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 121.794 0.807 . . . . 0.0 111.413 178.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' B' ' 72' ' ' HIS . 37.3 t-80 37.35 88.1 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.269 0.557 . . . . 0.0 110.4 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -74.6 128.71 36.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.276 -0.89 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -77.01 89.22 3.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.379 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -175.01 84.72 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.312 -0.868 . . . . 0.0 108.741 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 31.8 p80 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.126 -179.646 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 4.1 pm0 -71.38 150.03 45.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.384 -0.822 . . . . 0.0 109.422 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.53 -38.81 92.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.489 -0.757 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.0 t -57.36 -45.71 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.962 -1.086 . . . . 0.0 109.875 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.03 -40.14 94.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -0.979 . . . . 0.0 109.102 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.51 -39.88 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.302 -0.873 . . . . 0.0 109.186 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.84 -39.9 95.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.377 -0.827 . . . . 0.0 109.089 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -42.73 98.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.551 -0.718 . . . . 0.0 110.045 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.84 -44.98 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.113 -0.992 . . . . 0.0 110.056 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -62.55 -32.36 73.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.106 -0.996 . . . . 0.0 109.482 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -73.58 -41.01 63.46 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.05 -1.031 . . . . 0.0 109.832 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.61 -50.48 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.328 -0.858 . . . . 0.0 111.049 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -36.11 82.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.123 -0.986 . . . . 0.0 109.317 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.75 -5.1 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 108.734 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t 42.36 71.7 0.21 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.58 -0.7 . . . . 0.0 109.926 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.3 mt -107.77 128.18 54.35 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.748 . . . . 0.0 109.593 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p -87.4 158.35 19.02 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 110.271 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.22 78.34 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.55 -0.719 . . . . 0.0 109.5 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 8.6 mtmp? -65.91 -43.49 88.02 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.43 -0.793 . . . . 0.0 110.327 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -61.69 -44.48 96.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -0.888 . . . . 0.0 110.224 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.52 -44.71 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.98 . . . . 0.0 109.377 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.14 84.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.752 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.77 -54.23 47.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.258 -0.902 . . . . 0.0 108.987 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.14 -44.03 73.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.251 -0.905 . . . . 0.0 109.842 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.73 -39.65 94.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 0.0 109.146 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.31 32.4 22.83 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 pt -123.29 168.53 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.559 -0.965 . . . . 0.0 109.976 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 m -71.57 152.65 42.76 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.858 0.837 . . . . 0.0 110.166 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HE ' ' HG2' ' A' ' 19' ' ' LYS . 72.1 mtt85 -64.79 -37.15 86.63 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.317 -0.864 . . . . 0.0 109.28 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.69 -45.27 94.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 108.893 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.84 -42.81 99.5 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.453 0.644 . . . . 0.0 109.408 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.11 -31.58 72.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.267 -0.896 . . . . 0.0 109.161 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -61.35 -45.95 92.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 109.618 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.71 -43.67 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.123 -0.985 . . . . 0.0 109.725 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -67.31 -36.82 82.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.384 -0.823 . . . . 0.0 109.994 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -78.44 12.54 1.92 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.917 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -97.24 119.82 36.45 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -92.25 -11.06 36.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.285 -0.885 . . . . 0.0 109.75 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -124.36 131.76 53.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.622 -0.674 . . . . 0.0 109.33 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.17 146.93 68.29 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.405 -0.81 . . . . 0.0 109.84 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.46 158.46 51.15 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.661 2.241 . . . . 0.0 112.917 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 44' ' ' VAL . 12.6 p -67.25 -37.25 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.444 -0.785 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 2.8 m -46.39 -42.4 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.27 -0.894 . . . . 0.0 109.465 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 53.1 t -65.52 -43.81 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 108.849 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.78 -38.25 87.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 0.0 109.119 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.531 ' OH ' ' NH2' ' B' ' 11' ' ' ARG . 23.1 t80 -60.35 -41.59 93.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.399 -0.813 . . . . 0.0 109.419 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.16 -43.45 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 0.0 108.844 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.86 77.16 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.38 -0.825 . . . . 0.0 109.358 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -60.39 -48.42 81.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.178 -0.951 . . . . 0.0 109.401 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' B' ' 7' ' ' LEU . 91.7 mt -65.1 -42.18 94.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.202 -0.936 . . . . 0.0 109.505 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.9 -34.58 78.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.36 -0.837 . . . . 0.0 108.965 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -59.01 -21.59 59.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -93.0 1.07 57.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.0 108.87 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.14 24.75 54.05 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.41 134.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.271 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.77 53.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.62 -0.675 . . . . 0.0 109.754 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.69 -10.7 59.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.313 -0.867 . . . . 0.0 108.778 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.7 -31.69 73.02 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.513 -0.742 . . . . 0.0 109.183 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.35 88.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.995 -1.065 . . . . 0.0 109.457 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.9 -39.7 93.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.0 108.843 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.28 -50.24 48.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -50.72 -40.81 55.2 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.549 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 24.2 ttm180 -61.03 -49.79 75.97 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.601 -0.687 . . . . 0.0 109.396 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.03 -44.01 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.162 -0.961 . . . . 0.0 110.839 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 67' ' ' VAL . 96.5 mt -56.89 -87.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.194 -0.941 . . . . 0.0 111.431 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.576 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 12.4 p -77.41 127.5 38.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.326 -0.859 . . . . 0.0 110.903 -177.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.576 ' ND2' ' O ' ' A' ' 67' ' ' VAL . 7.3 m120 -138.09 -57.3 0.66 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -143.53 69.58 1.29 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CG ' ' H ' ' A' ' 71' ' ' GLU . 3.9 tp -69.02 -146.49 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.407 -0.808 . . . . 0.0 109.663 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' H ' ' CG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -91.01 94.1 9.48 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.146 -0.971 . . . . 0.0 109.688 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -165.41 157.54 15.14 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -177.27 131.01 0.17 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.003 -1.061 . . . . 0.0 109.281 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.451 ' O ' ' CE1' ' A' ' 76' ' ' HIS . 1.8 m80 -86.78 162.68 17.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -0.828 . . . . 0.0 109.153 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -79.75 129.67 34.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.905 . . . . 0.0 109.647 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 74' ' ' HIS . 50.2 m80 -130.37 133.58 46.51 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.448 -0.782 . . . . 0.0 109.506 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.9 t60 . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.31 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 56.3 mt-10 -76.01 164.45 26.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.856 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.23 -44.09 97.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.681 -0.637 . . . . 0.0 109.305 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t -66.18 -26.78 67.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.799 . . . . 0.0 109.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.73 -46.23 89.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.84 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 3.2 mp0 -70.09 -36.37 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.154 -0.966 . . . . 0.0 109.262 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 51' ' ' LEU . 36.8 tp -62.69 -42.11 99.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 108.939 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.37 -40.85 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.37 -44.45 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 109.528 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -55.34 -44.66 76.11 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.168 -0.958 . . . . 0.0 109.803 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' A' ' 47' ' ' TYR . 32.5 ttm105 -58.61 -44.94 90.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 109.303 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.5 -42.59 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.4 -0.812 . . . . 0.0 109.447 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -44.37 84.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 109.358 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 15' ' ' SER . 92.7 mt -93.73 -3.14 52.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 11' ' ' ARG . 2.9 t 41.13 78.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.352 0.596 . . . . 0.0 110.096 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.95 133.14 52.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.465 -0.772 . . . . 0.0 109.647 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.418 ' HG1' ' HB2' ' B' ' 20' ' ' SER . 82.1 p -84.8 159.54 20.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.528 -0.733 . . . . 0.0 110.159 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.98 78.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.567 -0.708 . . . . 0.0 109.497 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' B' ' 20' ' ' SER . 19.2 pttp -67.64 -43.43 80.34 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.286 -0.883 . . . . 0.0 109.947 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' B' ' 19' ' ' LYS . 68.9 m -64.83 -47.07 79.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.856 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.6 -44.11 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 110.026 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.75 98.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.434 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OE2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -66.32 -46.2 77.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.126 -0.984 . . . . 0.0 109.754 -179.444 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.439 ' OE2' ' OE1' ' B' ' 23' ' ' GLU . 75.5 mm-40 -69.8 -39.5 76.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 109.293 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -64.2 -38.28 90.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -0.849 . . . . 0.0 109.346 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.21 24.02 15.63 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.23 164.93 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.499 -1.001 . . . . 0.0 109.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.4 p -75.46 161.28 29.34 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.83 0.824 . . . . 0.0 110.538 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.13 -38.54 90.97 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.176 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.87 -38.44 90.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.374 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.69 -41.33 97.42 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 109.114 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.32 -43.09 98.79 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.0 109.602 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.66 -34.79 74.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.0 109.51 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -62.73 -39.91 95.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 109.09 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.62 -43.82 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.495 ' OE1' ' NH1' ' B' ' 11' ' ' ARG . 1.8 mt-10 -70.06 -18.49 63.28 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.96 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -85.23 -2.44 58.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 108.994 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -72.09 144.65 48.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -80.64 -80.33 0.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -99.87 172.77 7.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.404 -0.81 . . . . 0.0 109.864 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.19 149.13 40.79 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.788 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.9 154.1 71.53 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.576 2.184 . . . . 0.0 112.973 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.436 ' H ' HG22 ' B' ' 43' ' ' VAL . 4.3 m -65.69 -29.79 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.573 -0.704 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.445 HG13 ' N ' ' B' ' 45' ' ' VAL . 8.8 p -44.98 -35.92 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.318 -0.864 . . . . 0.0 109.353 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.445 ' N ' HG13 ' B' ' 44' ' ' VAL . 71.9 t -66.41 -43.17 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.479 -0.763 . . . . 0.0 109.09 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.75 -40.82 96.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -0.866 . . . . 0.0 109.646 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.96 -44.4 97.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.15 -0.969 . . . . 0.0 109.763 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.422 ' CG2' HD21 ' B' ' 58' ' ' LEU . 95.8 mt -62.36 -42.97 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.128 -0.982 . . . . 0.0 108.721 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.678 ' HB1' HH21 ' B' ' 52' ' ' ARG . . . -60.9 -35.48 76.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 0.0 109.341 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.74 -46.63 89.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.312 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.77 -41.87 99.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.942 -1.099 . . . . 0.0 109.141 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.678 HH21 ' HB1' ' B' ' 49' ' ' ALA . 2.0 tmm_? -62.69 -40.32 96.76 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.383 -0.823 . . . . 0.0 109.837 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 29.5 m -58.34 -22.58 53.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.067 -1.02 . . . . 0.0 109.508 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -86.01 3.36 42.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 108.958 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.66 19.57 67.98 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' B' ' 58' ' ' LEU . 47.4 t -60.89 146.66 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -1.158 . . . . 0.0 110.183 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.01 37.87 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.686 -0.634 . . . . 0.0 109.802 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' B' ' 56' ' ' VAL . 11.5 tp -63.15 -39.77 95.64 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.381 -0.824 . . . . 0.0 109.273 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -60.21 -42.05 94.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.149 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.46 83.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.421 -0.8 . . . . 0.0 110.365 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.17 -42.78 95.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.167 -0.958 . . . . 0.0 109.897 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -64.63 -43.6 93.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.908 -1.12 . . . . 0.0 109.669 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -49.83 -39.46 38.79 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.943 -1.098 . . . . 0.0 109.237 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' B' ' 64' ' ' ARG . 13.1 mtp180 -65.94 -48.4 71.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.164 -0.96 . . . . 0.0 109.009 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.17 -42.99 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.618 -0.676 . . . . 0.0 110.684 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 89.0 mt -51.96 135.81 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 122.109 0.957 . . . . 0.0 110.81 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.444 ' O ' HG13 ' B' ' 67' ' ' VAL . 3.0 p -51.1 100.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.609 0.719 . . . . 0.0 111.117 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -75.79 -44.87 39.22 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.37 -0.831 . . . . 0.0 109.35 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -81.43 141.27 34.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.424 -0.797 . . . . 0.0 110.657 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 40.1 tp -172.8 -72.9 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -94.16 -129.85 0.14 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.459 -0.776 . . . . 0.0 109.745 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 45.32 83.16 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.304 -0.872 . . . . 0.0 109.448 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -62.99 152.42 36.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.396 -0.815 . . . . 0.0 109.969 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 91.02 3.24 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.69 35.26 1.54 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.46 170.91 0.06 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.711 0.767 . . . . 0.0 110.527 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' B' ' 77' ' ' HIS . 17.2 t60 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.38 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 121.392 0.615 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.42 -85.86 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.68 -44.81 95.3 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -71.67 -20.4 61.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.77 . . . . 0.0 109.933 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 9' ' ' VAL . 28.0 t30 -62.62 -50.72 70.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.144 -0.973 . . . . 0.0 109.803 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.58 -32.2 65.83 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.372 -0.83 . . . . 0.0 108.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.599 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.2 tt -58.49 -47.41 84.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.534 -0.728 . . . . 0.0 109.254 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 56.8 mtpt -63.6 -40.76 97.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 108.862 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.548 ' CG1' ' HE ' ' A' ' 13' ' ' ARG . 83.2 t -61.41 -45.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.649 -0.657 . . . . 0.0 109.901 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.53 -42.37 87.61 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.853 -1.154 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 HH11 ' CD ' ' A' ' 36' ' ' GLU . 64.5 ttt180 -60.7 -43.39 97.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.937 . . . . 0.0 109.127 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.01 -44.23 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.762 -0.586 . . . . 0.0 110.055 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.548 ' HE ' ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -62.38 -42.93 99.8 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.09 -1.006 . . . . 0.0 108.875 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.2 mt -87.53 -5.61 58.71 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ARG . 60.5 p 38.81 66.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.32 0.581 . . . . 0.0 109.878 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.9 154.31 29.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.466 -0.771 . . . . 0.0 109.939 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 p -79.04 130.88 35.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.551 -0.718 . . . . 0.0 110.135 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.26 82.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.571 -0.706 . . . . 0.0 109.846 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.01 -45.08 95.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.0 109.856 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -60.05 -45.94 91.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.149 -0.969 . . . . 0.0 109.607 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.09 -47.6 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.321 -0.862 . . . . 0.0 110.339 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.28 86.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.289 -0.882 . . . . 0.0 111.072 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.04 -48.0 69.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.941 -1.1 . . . . 0.0 110.346 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.95 -37.57 75.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.166 -0.959 . . . . 0.0 109.9 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 55.5 mmm -62.82 -38.19 89.77 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.402 -0.811 . . . . 0.0 109.421 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.27 26.32 16.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.1 pt -125.84 161.79 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.657 -0.908 . . . . 0.0 109.54 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 t -76.8 159.61 29.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.453 -0.779 . . . . 0.0 110.333 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -62.34 -34.14 76.07 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.447 -0.783 . . . . 0.0 109.274 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.41 -44.79 76.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.21 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' NE2' HG11 ' B' ' 43' ' ' VAL . 58.5 tt0 -66.89 -37.31 84.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.875 . . . . 0.0 108.976 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.07 -42.43 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.785 . . . . 0.0 109.315 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.53 -35.81 80.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 108.957 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.85 -36.91 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.104 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.54 -43.46 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.144 -0.972 . . . . 0.0 108.695 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' CD ' HH11 ' A' ' 11' ' ' ARG . 28.7 mm-40 -56.56 -34.11 66.78 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 38' ' ' SER . 55.9 tp60 -80.12 39.53 0.45 Allowed 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 37' ' ' GLN . 9.6 p -36.99 144.33 0.07 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.561 0.696 . . . . 0.0 111.029 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 40' ' ' THR . 82.9 tt0 -140.36 86.03 2.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.625 -0.672 . . . . 0.0 109.273 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 39' ' ' GLU . 5.5 m 59.93 131.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.51 0.672 . . . . 0.0 109.76 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 151.02 93.3 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.214 -0.929 . . . . 0.0 109.704 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.07 149.81 59.17 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.357 2.038 . . . . 0.0 112.55 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 43' ' ' VAL . 4.3 m -69.19 -17.24 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.576 -0.703 . . . . 0.0 110.202 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 45' ' ' VAL . 3.3 m -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.153 -0.967 . . . . 0.0 109.2 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' N ' HG23 ' A' ' 44' ' ' VAL . 73.0 t -62.44 -43.72 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.826 . . . . 0.0 109.054 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.27 -40.57 94.61 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.503 -0.748 . . . . 0.0 109.142 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -60.63 -40.89 93.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.4 -44.08 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 0.0 109.295 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.35 83.35 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.072 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' B' ' 21' ' ' VAL . 37.5 t80 -60.39 -45.65 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.441 -0.787 . . . . 0.0 109.841 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.437 HD11 HD11 ' B' ' 7' ' ' LEU . 94.7 mt -62.3 -42.5 99.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.895 . . . . 0.0 109.319 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -64.8 -19.91 66.09 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 p -62.95 -36.08 82.27 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.249 -0.907 . . . . 0.0 108.695 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.08 -6.24 42.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.332 -0.855 . . . . 0.0 109.648 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 47.04 5.53 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.035 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.14 -20.51 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.25 . . . . 0.0 109.068 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 76.97 69.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.526 0.679 . . . . 0.0 109.757 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.559 ' H ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 pt? -79.13 -6.06 55.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.53 -0.731 . . . . 0.0 109.224 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -60.99 -45.34 95.21 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.399 -0.813 . . . . 0.0 109.652 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.57 -37.31 79.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.387 -0.821 . . . . 0.0 109.821 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.51 -47.76 84.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.146 -0.971 . . . . 0.0 109.642 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -70.97 -35.43 72.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.925 . . . . 0.0 109.798 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -54.84 -45.71 74.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.209 -0.932 . . . . 0.0 110.394 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.43 -43.81 96.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.87 -1.144 . . . . 0.0 109.278 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.2 mt -69.13 -71.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.376 -0.828 . . . . 0.0 109.912 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 pt -84.75 134.5 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.349 -0.845 . . . . 0.0 109.94 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 67' ' ' VAL . 9.6 p -119.81 127.75 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.457 -0.777 . . . . 0.0 109.183 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -157.14 110.73 2.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.187 -0.946 . . . . 0.0 108.989 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.52 145.6 43.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.433 -0.792 . . . . 0.0 110.457 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.3 mm? -90.69 0.69 57.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.526 -0.734 . . . . 0.0 109.084 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 73' ' ' HIS . 25.4 mm-40 -92.56 -24.07 18.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.251 -0.906 . . . . 0.0 109.098 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' A' ' 71' ' ' GLU . 9.4 p-80 22.8 44.18 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.528 0 CA-C-O 121.648 0.737 . . . . 0.0 111.268 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 71' ' ' GLU . 44.6 t60 -95.37 124.34 39.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.447 -0.783 . . . . 0.0 109.507 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 12.2 t-80 43.6 41.84 3.73 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.437 -0.789 . . . . 0.0 109.674 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.3 m80 47.25 -108.73 0.22 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.458 -0.776 . . . . 0.0 110.048 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.514 ' ND1' ' N ' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -151.74 162.13 41.52 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.0 109.329 -179.665 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 N--CA 1.5 2.057 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.307 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ttt . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -148.99 -85.39 0.09 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.232 -0.918 . . . . 0.0 109.545 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.04 -49.05 77.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.448 -0.782 . . . . 0.0 110.118 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -67.18 -42.57 84.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.569 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.1 -45.92 86.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.512 -0.743 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.421 ' O ' ' OE2' ' B' ' 10' ' ' GLU . 19.4 tt0 -66.95 -33.29 75.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.094 -1.004 . . . . 0.0 109.171 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.437 HD11 HD11 ' A' ' 51' ' ' LEU . 59.4 tp -61.16 -44.36 97.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.468 -0.77 . . . . 0.0 109.273 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.86 -36.49 83.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 108.998 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.82 -45.21 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.59 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' B' ' 6' ' ' GLU . 1.1 mp0 -58.25 -40.5 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.967 -1.083 . . . . 0.0 109.196 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' SER . 25.4 ttp180 -58.53 -45.47 88.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.239 -0.913 . . . . 0.0 109.031 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.38 -42.83 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.847 -0.533 . . . . 0.0 109.896 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -58.87 -44.26 91.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 109.674 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.69 -3.37 46.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.93 . . . . 0.0 108.687 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' ARG . 12.5 t 41.51 77.05 0.06 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.763 -0.586 . . . . 0.0 110.081 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.95 159.18 22.32 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -99.05 133.07 43.85 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.437 0.637 . . . . 0.0 109.717 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.47 86.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.473 -0.767 . . . . 0.0 109.681 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -63.12 -46.04 89.16 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.126 -0.983 . . . . 0.0 110.003 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -64.05 -49.33 72.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.974 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.444 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 92.8 t -67.17 -45.84 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.328 -0.858 . . . . 0.0 110.29 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.82 81.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.34 -0.85 . . . . 0.0 110.234 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.82 -42.7 85.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -0.996 . . . . 0.0 110.203 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -71.09 -43.01 68.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.157 -0.965 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 92.2 mtp -66.04 -39.18 89.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.948 -1.095 . . . . 0.0 109.555 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.33 27.94 7.43 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.21 161.83 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.411 -1.053 . . . . 0.0 109.356 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.2 t -73.77 156.7 37.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.536 -0.728 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -63.56 -37.9 89.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.401 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -56.2 -42.31 76.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.406 -0.809 . . . . 0.0 109.019 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -67.19 -39.39 86.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.335 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.25 -43.91 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.154 -0.966 . . . . 0.0 109.213 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -66.18 -33.1 74.99 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 108.804 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.26 -37.78 86.76 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.37 -43.84 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -65.34 -23.63 67.05 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.79 -0.09 57.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.378 -0.826 . . . . 0.0 108.99 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.9 t -56.35 141.5 41.59 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.848 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -110.29 -52.09 2.81 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.612 -0.68 . . . . 0.0 109.951 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 98.6 m -118.03 131.81 56.43 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.5 -0.75 . . . . 0.0 109.364 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.97 152.92 80.08 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.28 151.68 71.82 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.627 2.218 . . . . 0.0 112.516 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.46 HG11 ' NE2' ' A' ' 31' ' ' GLN . 16.8 m -64.96 -12.37 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.624 -0.672 . . . . 0.0 109.861 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.1 t -59.17 -42.86 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.0 109.443 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.27 -46.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.153 -0.967 . . . . 0.0 109.066 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.59 -39.06 93.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.14 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -43.27 91.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.82 -43.08 96.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.9 73.76 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.483 -0.76 . . . . 0.0 109.195 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.618 ' CZ ' ' NZ ' ' B' ' 54' ' ' LYS . 6.5 t80 -70.34 -28.32 65.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.814 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 7' ' ' LEU . 96.9 mt -73.36 -50.69 20.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.728 -1.233 . . . . 0.0 110.189 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -67.11 -21.57 65.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 109.038 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.8 m -59.26 -33.44 71.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.633 -0.667 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.618 ' NZ ' ' CZ ' ' B' ' 50' ' ' PHE . 14.6 mptt -91.32 7.52 40.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.376 -0.827 . . . . 0.0 109.4 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.26 19.72 56.51 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 51' ' ' LEU . 60.1 t -59.81 147.32 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -1.149 . . . . 0.0 109.235 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.07 47.82 0.11 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 58' ' ' LEU . 0.2 OUTLIER -62.16 -40.68 96.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.496 -0.752 . . . . 0.0 109.116 -179.351 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -59.96 -40.27 88.47 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.77 81.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.552 -0.717 . . . . 0.0 109.57 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.507 ' O ' HD23 ' B' ' 61' ' ' LEU . 1.7 tt -60.08 -49.18 78.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.207 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -70.83 -35.46 72.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.11 -0.993 . . . . 0.0 109.617 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.68 -43.34 57.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -60.94 -35.36 76.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.961 -1.087 . . . . 0.0 108.673 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt -81.04 -69.75 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.863 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 33.5 pt -82.4 139.47 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.234 -0.916 . . . . 0.0 110.279 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 t -89.5 114.33 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.209 -0.932 . . . . 0.0 109.226 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.404 ' ND2' ' H ' ' B' ' 68' ' ' ASN . 0.2 OUTLIER -99.37 104.47 16.35 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.161 -0.962 . . . . 0.0 109.386 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -175.24 150.6 1.17 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.491 -0.756 . . . . 0.0 109.262 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.7 tp -48.93 -72.67 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.266 -0.896 . . . . 0.0 109.963 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' B' ' 73' ' ' HIS . 51.4 mt-10 55.08 -115.11 0.92 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.698 -0.626 . . . . 0.0 110.635 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 64.5 -31.75 0.13 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.692 -0.63 . . . . 0.0 109.703 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.702 ' CG ' ' H ' ' B' ' 74' ' ' HIS . 2.4 t60 -64.86 -168.38 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.071 -1.018 . . . . 0.0 109.475 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.702 ' H ' ' CG ' ' B' ' 73' ' ' HIS . 22.8 p-80 -35.02 127.78 0.51 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.655 0.741 . . . . 0.0 111.423 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -179.6 4.75 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.44 0.638 . . . . 0.0 109.548 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -72.23 49.56 0.2 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.475 -0.765 . . . . 0.0 109.735 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 77' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.612 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.443 ' O ' ' O ' ' A' ' 2' ' ' GLU . 62.2 ttp . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 1' ' ' MET . 77.7 mm-40 58.21 142.93 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.699 0.761 . . . . 0.0 110.634 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' B' ' 65' ' ' ILE . 59.5 mt -63.9 -40.56 96.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.663 -0.648 . . . . 0.0 110.16 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -44.75 -55.79 5.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.397 -0.814 . . . . 0.0 110.213 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.5 t30 -65.56 -40.5 92.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.385 -0.822 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.77 -48.46 79.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 109.866 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.463 HD23 ' CE1' ' B' ' 47' ' ' TYR . 11.1 mp -62.92 -40.82 98.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 108.654 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.91 -39.19 91.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.44 -0.787 . . . . 0.0 109.328 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' ASN . 48.4 t -60.4 -47.24 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.334 -0.854 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -66.31 -37.23 84.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.143 -0.973 . . . . 0.0 108.748 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.4 ttt180 -61.57 -45.93 92.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.589 -0.694 . . . . 0.0 109.658 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.573 -0.704 . . . . 0.0 109.837 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 13' ' ' ARG . 41.6 ttm180 -65.77 -43.2 89.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.319 -0.863 . . . . 0.0 109.407 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.0 mt -90.12 0.8 56.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.308 -0.87 . . . . 0.0 108.932 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' ARG . 24.5 p 35.47 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.493 0.663 . . . . 0.0 110.533 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -109.15 136.66 48.27 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.524 -0.735 . . . . 0.0 109.121 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -88.06 138.97 30.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.449 -0.782 . . . . 0.0 110.48 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.34 90.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.8 -0.562 . . . . 0.0 109.805 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.33 -46.13 88.04 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.074 -1.016 . . . . 0.0 109.599 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -64.81 -46.81 80.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.73 -43.81 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -0.836 . . . . 0.0 109.665 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.11 76.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.496 -0.753 . . . . 0.0 110.148 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -68.79 -35.97 77.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.25 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -46.78 69.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.957 -1.089 . . . . 0.0 109.11 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.9 mtp -63.69 -39.18 93.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.601 -0.687 . . . . 0.0 109.409 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.02 7.12 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -125.68 162.8 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.478 -1.013 . . . . 0.0 109.66 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -71.26 151.82 43.89 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.643 0.735 . . . . 0.0 109.844 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 29' ' ' ARG . 1.9 ttp180 -60.89 -40.57 93.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.741 -0.6 . . . . 0.0 109.758 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -40.23 72.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.0 109.101 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.62 -46.51 78.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.361 -0.837 . . . . 0.0 109.399 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.4 -39.14 91.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.635 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.67 -41.37 81.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.87 . . . . 0.0 109.795 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -63.54 -43.15 97.93 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.194 -0.941 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.45 -44.09 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 109.393 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.53 -31.97 73.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.584 -0.698 . . . . 0.0 110.118 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 38' ' ' SER . 84.9 mt-30 -84.93 -4.68 59.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.997 -1.065 . . . . 0.0 109.736 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 1.4 m 163.11 115.49 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.17 120.19 41.47 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.745 0.783 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.0 p -83.05 166.7 18.54 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.211 -0.931 . . . . 0.0 109.708 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.1 109.06 60.8 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 121.424 -0.798 . . . . 0.0 109.213 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.68 163.24 29.35 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.219 1.946 . . . . 0.0 112.908 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 43' ' ' VAL . 12.4 m -62.04 -19.18 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.477 -0.764 . . . . 0.0 109.849 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.44 -43.64 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.992 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.54 -42.65 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.801 . . . . 0.0 109.238 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.71 -42.5 88.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.112 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -60.86 -47.94 84.08 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -44.05 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.442 -0.786 . . . . 0.0 109.619 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.31 99.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CZ ' ' OE2' ' B' ' 24' ' ' GLU . 46.8 t80 -62.37 -46.35 89.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.497 -0.752 . . . . 0.0 109.743 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.2 mt -63.68 -41.32 98.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.195 -0.941 . . . . 0.0 109.356 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -64.62 -36.58 84.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.406 -0.809 . . . . 0.0 109.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.8 p -59.53 -21.99 61.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 109.443 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.5 -1.61 55.4 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.26 -0.9 . . . . 0.0 109.352 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.24 24.67 58.85 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.15 -19.66 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.104 -1.233 . . . . 0.0 108.904 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 63.9 83.46 0.16 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.613 0.721 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 58' ' ' LEU . 3.7 mm? -84.47 -4.43 58.93 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 p30 -61.41 -45.0 96.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.52 -0.737 . . . . 0.0 109.184 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -66.57 -44.81 81.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.0 109.737 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.27 -46.34 87.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.232 -0.918 . . . . 0.0 109.874 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.92 -31.52 68.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.355 -0.84 . . . . 0.0 109.439 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -37.27 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 109.072 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.5 -36.36 82.28 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.4 mm -65.0 -44.98 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.1 mt -91.94 97.43 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.258 -0.901 . . . . 0.0 109.613 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.797 HG12 HD21 ' A' ' 68' ' ' ASN . 46.5 t -149.1 -89.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.464 -0.773 . . . . 0.0 109.075 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.797 HD21 HG12 ' A' ' 67' ' ' VAL . 1.3 p30 -122.58 -63.13 1.3 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.45 -0.782 . . . . 0.0 109.866 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -82.58 147.2 28.74 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.083 -1.011 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.69 67.14 1.17 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -70.7 130.37 41.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 0.0 110.29 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' HIS . 31.2 t-80 -168.56 -65.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' HIS . 1.3 t60 37.56 -113.33 0.11 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.236 0.541 . . . . 0.0 110.793 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -143.69 150.7 39.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.269 -0.894 . . . . 0.0 109.593 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -159.68 -37.43 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 51.68 80.74 0.08 Allowed 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.651 0.739 . . . . 0.0 109.499 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.902 -1.047 . . . . 0.0 109.183 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.6 mpp? . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.312 0.577 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -76.74 161.37 28.55 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.464 -0.772 . . . . 0.0 110.05 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.63 -40.29 96.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.689 . . . . 0.0 109.671 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.3 t -59.24 -47.33 85.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 110.154 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -68.88 -42.22 77.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.189 -0.945 . . . . 0.0 109.782 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.443 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 42.1 mt-10 -65.75 -42.73 90.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.746 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 51' ' ' LEU . 44.1 tp -62.16 -41.57 98.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.478 -0.764 . . . . 0.0 109.196 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -62.5 -36.73 83.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 0.0 109.636 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.73 -47.12 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 109.705 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 1.7 mp0 -64.27 -38.68 91.92 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.037 -1.04 . . . . 0.0 108.806 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.56 -49.07 76.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.539 -0.726 . . . . 0.0 109.432 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.15 -43.87 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.519 -0.738 . . . . 0.0 109.472 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -60.63 -43.63 97.29 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' B' ' 15' ' ' SER . 88.1 mt -84.58 -4.14 58.82 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.423 ' C ' ' O ' ' B' ' 14' ' ' LEU . 34.8 t 38.19 74.78 0.08 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.802 -0.561 . . . . 0.0 110.376 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -101.61 134.21 45.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.282 -0.886 . . . . 0.0 109.53 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -70.72 136.45 48.97 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.637 0.732 . . . . 0.0 110.364 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.07 84.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.704 -0.623 . . . . 0.0 109.722 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.75 -46.01 91.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.771 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.64 -44.65 95.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.34 -22.7 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.374 -0.829 . . . . 0.0 109.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.34 -30.86 27.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.006 -1.059 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -68.46 -45.11 73.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.568 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.542 ' OE2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.4 -44.44 67.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.285 -0.884 . . . . 0.0 109.659 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 80.5 mtp -68.29 -36.28 79.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 109.49 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.1 48.04 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 pt -117.27 -174.44 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.505 -0.997 . . . . 0.0 109.359 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -96.6 165.0 12.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.483 -0.761 . . . . 0.0 110.286 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -63.95 -37.13 86.29 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.419 0.628 . . . . 0.0 109.367 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -57.37 -43.99 84.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 109.331 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -65.54 -43.71 89.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 47' ' ' TYR . 41.9 tp -64.74 -42.18 95.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.856 . . . . 0.0 109.173 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -33.23 75.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.438 -0.789 . . . . 0.0 109.882 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.72 -41.05 94.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.17 -0.956 . . . . 0.0 109.569 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.91 -43.71 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' B' ' 38' ' ' SER . 0.6 OUTLIER -64.19 -30.3 71.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.459 -0.775 . . . . 0.0 109.795 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -73.37 31.84 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.07 -1.019 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.527 ' H ' ' C ' ' B' ' 36' ' ' GLU . 2.0 m 57.83 81.19 0.15 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.629 -0.67 . . . . 0.0 111.034 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' B' ' 40' ' ' THR . 4.3 tm-20 -100.5 -14.45 18.24 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER 80.74 170.02 0.14 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.215 0.531 . . . . 0.0 110.092 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.77 148.47 39.99 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 0.0 109.895 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.18 160.93 41.7 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.893 2.395 . . . . 0.0 112.611 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 m -65.21 -19.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.388 -0.82 . . . . 0.0 109.714 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.07 -42.42 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.263 -0.898 . . . . 0.0 108.666 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -43.43 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 108.878 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -62.36 -37.01 84.02 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.193 -0.942 . . . . 0.0 109.806 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.463 ' CE1' HD23 ' A' ' 7' ' ' LEU . 57.9 t80 -60.29 -52.51 64.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.048 -1.033 . . . . 0.0 110.338 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 pt -63.86 -27.46 42.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.086 -1.009 . . . . 0.0 108.49 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.22 93.36 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.12 -45.04 91.95 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.99 -38.2 90.22 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.48 -21.07 65.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.269 -0.894 . . . . 0.0 109.056 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 63.4 p -58.44 -33.25 69.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.159 -0.963 . . . . 0.0 108.453 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -91.54 -0.31 57.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.74 29.38 35.46 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' B' ' 58' ' ' LEU . 83.4 t -63.38 123.79 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.322 . . . . 0.0 109.117 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.08 68.28 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.528 -0.733 . . . . 0.0 110.426 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.7 tp -65.53 -38.47 89.74 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.4 OUTLIER -45.8 -40.68 9.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.532 -0.73 . . . . 0.0 109.287 -179.364 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.11 83.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.501 -0.749 . . . . 0.0 109.93 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.07 -43.64 98.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.346 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.61 -40.91 84.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -66.53 -19.21 65.73 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.3 -0.875 . . . . 0.0 109.639 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.436 ' O ' HG13 ' B' ' 67' ' ' VAL . 41.7 mmm-85 -89.68 -23.07 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.202 -0.936 . . . . 0.0 109.866 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.441 ' CD1' HD21 ' A' ' 3' ' ' LEU . 97.9 mt -82.59 -21.36 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.136 -0.977 . . . . 0.0 110.46 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' B' ' 67' ' ' VAL . 36.9 pt -77.08 -9.04 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.028 -1.045 . . . . 0.0 109.814 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.436 HG13 ' O ' ' B' ' 64' ' ' ARG . 31.0 m -43.28 166.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.323 -0.861 . . . . 0.0 110.463 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.27 147.99 15.6 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.551 0.691 . . . . 0.0 110.624 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 57.48 101.35 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.723 0.773 . . . . 0.0 110.101 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.533 ' O ' ' ND1' ' B' ' 72' ' ' HIS . 83.7 mt -85.91 -7.26 58.81 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 60.19 -0.27 0.25 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' B' ' 70' ' ' LEU . 1.1 m80 -82.35 141.66 32.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.052 -1.03 . . . . 0.0 110.057 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -155.02 177.05 11.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.331 -0.856 . . . . 0.0 108.792 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' B' ' 74' ' ' HIS . 12.6 p-80 -53.23 126.14 19.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.949 . . . . 0.0 110.117 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.699 ' HE2' ' CE1' ' B' ' 77' ' ' HIS . 13.8 t60 -160.9 167.03 27.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.443 -0.786 . . . . 0.0 109.178 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.614 ' N ' ' CG ' ' B' ' 75' ' ' HIS . 0.2 OUTLIER -166.14 100.64 0.63 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.571 -0.706 . . . . 0.0 109.139 179.296 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.699 ' CE1' ' HE2' ' B' ' 75' ' ' HIS . 74.3 m-70 . . . . . 0 N--CA 1.499 1.982 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.442 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.442 0.639 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -83.9 171.63 12.86 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.852 . . . . 0.0 110.503 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.4 -39.87 95.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.499 -0.75 . . . . 0.0 110.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 p -57.97 -41.04 82.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.026 -1.046 . . . . 0.0 110.292 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -64.57 -46.9 80.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.029 -1.044 . . . . 0.0 109.835 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.23 -37.16 77.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.86 . . . . 0.0 109.168 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.39 -41.91 98.78 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.309 -0.869 . . . . 0.0 109.391 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.5 -41.66 98.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.961 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.08 -44.45 98.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.79 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -58.74 -41.77 87.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.566 HH22 ' CD ' ' A' ' 36' ' ' GLU . 36.7 ttm180 -56.58 -46.58 80.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 0.0 108.723 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.16 -42.72 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.655 -0.653 . . . . 0.0 109.412 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.1 ttm-85 -55.39 -44.97 76.62 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 0.0 110.011 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -102.78 2.51 35.68 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 108.874 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 11' ' ' ARG . 16.2 m 42.19 82.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.691 HD11 ' HZ2' ' B' ' 54' ' ' LYS . 8.3 mp -106.17 153.43 22.12 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 121.597 0.713 . . . . 0.0 109.804 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.9 p -112.35 144.16 42.24 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.459 0.647 . . . . 0.0 109.81 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.42 87.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.463 -0.773 . . . . 0.0 109.633 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -63.4 -44.31 95.05 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.003 -1.06 . . . . 0.0 109.816 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -62.18 -47.39 84.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.185 -0.947 . . . . 0.0 109.929 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.04 -43.76 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.925 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.77 95.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.401 -0.812 . . . . 0.0 110.499 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -68.24 -40.29 82.05 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.008 -1.058 . . . . 0.0 109.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -72.97 -43.31 62.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 109.943 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.9 mmm -64.84 -39.15 93.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 109.966 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.83 23.13 14.06 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -124.73 162.85 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.225 0 O-C-N 121.44 -1.035 . . . . 0.0 109.928 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.4 p -79.07 166.29 22.46 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 110.008 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' H ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.48 -35.66 81.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.466 -0.771 . . . . 0.0 108.935 179.411 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.64 -45.47 77.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.262 -0.899 . . . . 0.0 109.459 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -64.01 -43.25 96.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.347 -0.846 . . . . 0.0 109.071 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.49 -39.84 95.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.422 -0.799 . . . . 0.0 108.977 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.41 74.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 109.82 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -61.89 -41.07 97.46 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.317 -0.864 . . . . 0.0 109.139 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.1 -44.33 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.313 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.566 ' CD ' HH22 ' A' ' 11' ' ' ARG . 69.8 tt0 -69.48 -13.01 62.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.0 108.552 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -72.02 38.37 0.07 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.861 -1.149 . . . . 0.0 109.381 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' GLU . 47.1 t 48.45 -105.42 0.15 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.451 -0.781 . . . . 0.0 110.887 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 38' ' ' SER . 64.3 mm-40 59.17 142.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.879 0.847 . . . . 0.0 110.086 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -62.56 139.55 58.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.59 0.71 . . . . 0.0 110.069 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.32 93.29 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.533 -0.73 . . . . 0.0 110.024 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.53 154.79 72.15 Favored 'Trans proline' 0 N--CA 1.502 1.996 0 C-N-CA 123.023 2.482 . . . . 0.0 113.183 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.36 -23.44 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 110.125 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 3.1 m -58.64 -40.43 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.904 -1.123 . . . . 0.0 108.975 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 51.7 t -63.06 -44.26 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.409 -0.807 . . . . 0.0 109.212 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -61.62 -41.23 97.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.377 -0.827 . . . . 0.0 108.807 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -44.29 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 108.813 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.81 -42.84 97.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.425 -0.797 . . . . 0.0 109.038 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.68 68.15 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.21 -0.931 . . . . 0.0 109.587 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 6.3 t80 -62.32 -45.7 92.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 108.97 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.69 -36.71 81.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.245 -0.91 . . . . 0.0 109.281 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.81 -40.57 88.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.6 m -55.17 -30.42 59.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.538 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 14.6 mptt -83.13 2.6 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.279 -0.888 . . . . 0.0 109.014 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.09 24.78 60.9 Favored Glycine 0 N--CA 1.492 2.404 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.64 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.66 135.33 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.788 -1.419 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 1.2 p30 -76.85 93.71 3.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 0.0 110.075 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.25 -12.83 51.59 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 32.9 p-10 -63.44 -45.61 90.09 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -0.828 . . . . 0.0 110.116 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -70.72 -40.63 72.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.123 -0.986 . . . . 0.0 110.249 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.9 tt -62.36 -48.39 80.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.908 . . . . 0.0 109.816 -178.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.18 -35.59 74.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.36 -0.838 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.6 -48.53 80.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.951 -1.093 . . . . 0.0 111.645 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -62.61 -41.95 99.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.595 -1.316 . . . . 0.0 110.153 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.57 -43.46 98.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.157 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.79 -72.7 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.017 -1.052 . . . . 0.0 110.796 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 67' ' ' VAL . 3.5 m -76.2 129.64 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.161 -0.962 . . . . 0.0 111.166 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -100.28 -17.88 17.09 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 46.6 tttp -69.06 167.69 15.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.643 -0.661 . . . . 0.0 110.219 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' LYS . 2.8 tp 80.24 38.67 0.09 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -130.7 -163.68 1.34 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.518 -0.738 . . . . 0.0 109.776 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -40.8 -79.72 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.504 -0.747 . . . . 0.0 110.855 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 73' ' ' HIS . 43.0 t-80 -172.96 53.52 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m170 46.36 -162.37 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.364 -0.835 . . . . 0.0 109.848 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -133.54 134.76 43.79 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.6 0.714 . . . . 0.0 109.465 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.455 ' O ' ' OXT' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -84.01 159.86 21.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.57 -0.706 . . . . 0.0 109.461 -179.52 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.455 ' OXT' ' O ' ' A' ' 76' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.885 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.42 ' SD ' ' OD1' ' B' ' 5' ' ' ASN . 65.3 mtt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.342 0.592 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 28.0 tt0 -78.72 165.05 24.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.401 -0.812 . . . . 0.0 110.176 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 2' ' ' GLU . 47.7 tp -60.3 -44.7 95.18 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.455 -0.778 . . . . 0.0 110.293 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t -61.29 -34.61 75.49 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.42 ' OD1' ' SD ' ' B' ' 1' ' ' MET . 28.5 t-20 -61.45 -43.86 98.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 111.387 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 26.1 mp0 -69.77 -43.24 72.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.712 -1.243 . . . . 0.0 110.254 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.96 -39.71 93.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.958 -1.089 . . . . 0.0 109.032 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.95 -45.11 95.09 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.104 -0.998 . . . . 0.0 109.794 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.0 -45.88 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.23 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.619 ' CD ' HH21 ' B' ' 13' ' ' ARG . 74.4 mm-40 -62.58 -37.6 86.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 109.308 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' B' ' 15' ' ' SER . 8.9 ttt180 -60.69 -42.71 97.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.83 -44.49 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.486 -0.759 . . . . 0.0 109.519 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.619 HH21 ' CD ' ' B' ' 10' ' ' GLU . 56.3 mtm180 -65.13 -40.46 94.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.415 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 15' ' ' SER . 86.3 mt -89.59 -5.8 56.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 11' ' ' ARG . 60.1 p 38.97 61.13 1.31 Allowed 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.145 0.498 . . . . 0.0 109.859 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.8 mt -104.32 125.25 50.4 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.486 -0.758 . . . . 0.0 109.526 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 p -87.64 162.91 16.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.353 -0.842 . . . . 0.0 110.528 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.98 81.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.688 -0.632 . . . . 0.0 109.506 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.97 -44.87 95.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.068 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.9 t -61.63 -48.03 82.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -0.966 . . . . 0.0 110.221 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.07 -43.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.7 -30.28 70.65 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.352 -0.842 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.054 -1.029 . . . . 0.0 108.876 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.23 -46.65 17.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 109.534 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -65.0 -39.58 93.67 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.596 -0.69 . . . . 0.0 109.485 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.43 31.84 26.67 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.61 168.21 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.465 -1.021 . . . . 0.0 109.863 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -68.98 152.77 44.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -63.96 -39.23 93.67 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -40.43 91.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.505 -0.747 . . . . 0.0 109.77 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -58.36 -41.98 85.91 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.266 -0.896 . . . . 0.0 109.391 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.2 -41.52 99.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.195 -0.941 . . . . 0.0 108.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.44 -33.68 74.13 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.37 -0.831 . . . . 0.0 109.182 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.65 -38.54 90.7 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.422 -0.799 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.59 -44.15 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.188 -0.945 . . . . 0.0 108.936 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.52 -30.61 64.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -93.81 12.57 25.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.226 -0.921 . . . . 0.0 109.565 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -68.77 155.4 40.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.481 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.28 -37.47 77.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.518 -0.739 . . . . 0.0 109.908 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.606 HG22 ' N ' ' B' ' 41' ' ' ALA . 86.0 m -166.52 166.9 16.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.988 -1.07 . . . . 0.0 109.577 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.606 ' N ' HG22 ' B' ' 40' ' ' THR . . . -84.8 153.33 60.68 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 109.407 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.95 155.32 64.94 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.775 2.317 . . . . 0.0 112.793 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.21 -27.14 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.408 -0.808 . . . . 0.0 110.382 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.434 HG13 ' N ' ' B' ' 45' ' ' VAL . 9.7 p -53.98 -37.11 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.065 -1.022 . . . . 0.0 109.103 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.434 ' N ' HG13 ' B' ' 44' ' ' VAL . 69.4 t -64.08 -44.33 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.338 -0.851 . . . . 0.0 108.952 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.35 -38.03 87.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.302 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -59.15 -48.56 81.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.0 108.796 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.15 -42.06 94.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -37.28 67.47 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.436 -0.79 . . . . 0.0 109.027 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.57 -45.1 95.18 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.4 -41.44 98.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.604 -0.685 . . . . 0.0 109.316 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.44 HH21 ' HA2' ' B' ' 55' ' ' GLY . 0.8 OUTLIER -66.92 -25.88 66.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.046 -1.034 . . . . 0.0 109.087 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -63.91 -23.16 67.24 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.057 -1.027 . . . . 0.0 109.146 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.691 ' HZ2' HD11 ' A' ' 16' ' ' LEU . 98.3 mttt -93.77 2.11 56.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.028 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLY . . . . . 0.44 ' HA2' HH21 ' B' ' 52' ' ' ARG . . . 86.02 25.92 36.0 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.9 t -68.6 129.99 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.787 -1.419 . . . . 0.0 109.089 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -58.25 100.15 0.06 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.411 -0.805 . . . . 0.0 111.07 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -15.88 28.19 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.567 ' OD1' ' N ' ' B' ' 60' ' ' ALA . 31.9 p30 -66.03 -39.78 90.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.274 -0.891 . . . . 0.0 110.498 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.567 ' N ' ' OD1' ' B' ' 59' ' ' ASN . . . -83.36 -31.58 26.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.129 -0.982 . . . . 0.0 109.833 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.7 -44.08 97.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.111 -0.993 . . . . 0.0 109.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.84 -33.14 24.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.356 -0.84 . . . . 0.0 110.967 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.56 -42.7 99.23 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.864 -1.148 . . . . 0.0 110.377 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -62.12 -40.88 97.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.963 . . . . 0.0 109.715 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.03 -43.45 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.458 ' O ' ' O ' ' B' ' 67' ' ' VAL . 72.6 mt -68.27 -99.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.926 -1.109 . . . . 0.0 110.052 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' B' ' 66' ' ' ILE . 10.4 t 56.62 121.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 CA-C-O 121.633 0.73 . . . . 0.0 110.433 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -82.21 -154.52 0.13 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 110.28 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.84 98.99 8.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.474 -0.766 . . . . 0.0 109.992 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.457 ' C ' HD23 ' B' ' 70' ' ' LEU . 2.3 tt -132.27 -65.88 0.72 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.517 ' O ' ' ND1' ' B' ' 72' ' ' HIS . 11.2 pt-20 -107.82 48.18 0.86 Allowed 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' B' ' 71' ' ' GLU . 0.7 OUTLIER -149.47 171.68 16.2 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 122.051 0.929 . . . . 0.0 109.903 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -157.42 60.02 0.5 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 25.3 m80 47.68 -115.37 0.66 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.667 -0.646 . . . . 0.0 110.09 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.452 ' ND1' ' C ' ' B' ' 75' ' ' HIS . 0.3 OUTLIER -137.39 -97.22 0.2 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.363 -0.836 . . . . 0.0 108.846 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' B' ' 75' ' ' HIS . 0.0 OUTLIER -155.13 23.9 0.43 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.062 -1.024 . . . . 0.0 108.65 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 73.3 m80 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.064 179.57 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 2' ' ' GLU . 3.8 tpt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' MET . 59.9 tt0 60.24 122.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.802 0.81 . . . . 0.0 109.673 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.71 -41.97 98.02 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.669 0.747 . . . . 0.0 110.27 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.4 m -60.21 -40.38 89.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.627 0.727 . . . . 0.0 110.338 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.86 -41.27 99.31 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.459 -0.776 . . . . 0.0 110.382 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.492 ' OE1' HD11 ' B' ' 61' ' ' LEU . 35.0 mt-10 -66.8 -35.87 81.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.333 -0.855 . . . . 0.0 109.938 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.74 -43.27 99.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.33 -0.856 . . . . 0.0 110.052 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.99 -40.25 87.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.742 . . . . 0.0 109.764 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.55 -44.76 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.445 -0.784 . . . . 0.0 109.885 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' A' ' 13' ' ' ARG . 46.8 mm-40 -60.77 -42.05 96.71 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.276 -0.89 . . . . 0.0 109.13 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' NH2' ' OE2' ' A' ' 36' ' ' GLU . 3.1 tpp85 -63.99 -47.93 78.42 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.162 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.26 -43.19 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.555 0.693 . . . . 0.0 109.755 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 54.3 ttp180 -61.63 -41.17 97.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.738 0.78 . . . . 0.0 109.002 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 HG22 ' B' ' 56' ' ' VAL . 44.5 mt -85.36 -6.49 59.23 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.808 0.813 . . . . 0.0 108.853 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t 42.1 70.65 0.26 Allowed 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.719 0.771 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.49 135.32 49.16 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.673 0.749 . . . . 0.0 110.026 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -80.05 147.91 31.29 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.79 0.805 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -36.31 66.51 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.596 0.712 . . . . 0.0 109.589 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.21 -47.61 85.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.631 -0.668 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -63.97 -47.61 79.72 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.476 0.655 . . . . 0.0 109.902 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.18 -43.95 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.69 0.757 . . . . 0.0 109.796 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.41 77.07 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.559 0.695 . . . . 0.0 109.525 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.05 -46.56 80.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.651 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.88 55.77 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.091 -1.005 . . . . 0.0 109.538 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.42 -40.45 93.35 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.66 0.743 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.42 30.26 11.06 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.94 167.56 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.493 -1.004 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -74.23 158.14 34.62 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.98 0.895 . . . . 0.0 110.306 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -64.24 -35.7 81.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.87 -39.9 94.28 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 121.558 0.694 . . . . 0.0 109.278 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -58.24 -44.34 88.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.47 -0.769 . . . . 0.0 109.006 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.16 -43.81 94.05 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.755 0.788 . . . . 0.0 109.115 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -34.48 78.2 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.871 0.843 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.05 -36.53 84.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.635 0.731 . . . . 0.0 109.127 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.13 -42.77 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.534 -0.729 . . . . 0.0 109.237 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 82.9 mt-10 -61.55 -35.21 77.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.411 -0.806 . . . . 0.0 109.715 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.63 3.58 47.18 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.307 -0.871 . . . . 0.0 109.385 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 t -66.08 144.25 56.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.393 -0.817 . . . . 0.0 110.458 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.5 -93.22 0.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.63 0.728 . . . . 0.0 109.648 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 41' ' ' ALA . 67.0 m -81.59 164.12 22.12 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.673 0.749 . . . . 0.0 110.38 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.558 ' N ' HG22 ' A' ' 40' ' ' THR . . . -91.07 158.68 41.21 Favored Pre-proline 0 N--CA 1.492 1.67 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.37 160.82 47.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.608 2.205 . . . . 0.0 112.834 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.76 -21.29 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.458 0.646 . . . . 0.0 109.549 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.61 -44.92 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.453 -0.779 . . . . 0.0 109.402 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.94 -41.79 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.606 -0.684 . . . . 0.0 109.433 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.06 -43.0 99.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.52 -0.737 . . . . 0.0 109.686 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' B' ' 32' ' ' LEU . 49.1 t80 -62.53 -42.9 99.82 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.117 0.961 . . . . 0.0 109.006 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.26 -42.31 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.91 71.29 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 11.9 t80 -60.8 -47.32 86.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.269 -0.894 . . . . 0.0 108.724 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -65.85 -38.34 88.58 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.82 0.819 . . . . 0.0 109.253 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HE ' ' CD1' ' A' ' 58' ' ' LEU . 9.8 tpp85 -61.58 -45.48 93.92 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.566 0.698 . . . . 0.0 110.784 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.3 t -57.05 -16.73 7.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.485 -0.759 . . . . 0.0 110.25 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.556 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 62.3 mttp -99.79 11.4 39.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.161 -0.962 . . . . 0.0 109.358 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.24 34.38 85.54 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.42 -20.97 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.972 -1.31 . . . . 0.0 109.29 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.14 103.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.839 0.828 . . . . 0.0 110.253 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.525 ' CD1' ' HE ' ' A' ' 52' ' ' ARG . 15.2 mt -91.57 -2.42 57.14 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -60.95 -44.69 96.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.473 -0.767 . . . . 0.0 109.597 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.48 67.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.462 -0.774 . . . . 0.0 109.879 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 61' ' ' LEU . 2.2 tt -62.1 -55.32 30.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.392 -0.817 . . . . 0.0 110.453 -178.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -70.23 -37.27 74.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.455 -0.778 . . . . 0.0 110.435 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -55.21 -34.19 63.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -62.54 -50.57 70.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.351 -0.843 . . . . 0.0 110.174 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.54 -42.69 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.856 . . . . 0.0 109.959 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.34 127.1 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.285 -0.884 . . . . 0.0 110.037 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.2 m -95.08 -11.01 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 CA-C-O 121.471 0.653 . . . . 0.0 109.44 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.528 ' OD1' ' C ' ' A' ' 68' ' ' ASN . 0.3 OUTLIER -59.12 -44.66 92.01 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.265 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' A' ' 68' ' ' ASN . 88.7 tttt 53.51 116.47 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.369 1.081 . . . . 0.0 110.646 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.665 HD11 HH21 ' B' ' 52' ' ' ARG . 99.6 mt -63.38 -37.37 87.02 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.411 -0.806 . . . . 0.0 109.508 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 65.96 -4.48 0.63 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.643 0.735 . . . . 0.0 109.466 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.494 ' H ' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -79.05 143.39 35.66 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.394 -0.816 . . . . 0.0 109.152 179.579 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.469 ' C ' ' ND1' ' A' ' 73' ' ' HIS . 5.0 p80 -157.81 165.29 35.7 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.63 -0.669 . . . . 0.0 109.385 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -113.63 113.68 25.37 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 28.0 m170 39.9 -140.0 0.07 Allowed 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.355 0.598 . . . . 0.0 110.349 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 75' ' ' HIS . 6.4 m-70 -134.14 159.27 41.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.614 -0.679 . . . . 0.0 109.199 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.624 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.632 0.729 . . . . 0.0 109.139 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -77.31 171.5 14.76 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 122.028 0.918 . . . . 0.0 110.489 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.15 -41.79 99.34 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.447 0.641 . . . . 0.0 109.944 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 77.6 p -62.75 -43.77 97.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.52 -0.737 . . . . 0.0 109.862 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.439 ' O ' HG23 ' B' ' 9' ' ' VAL . 6.0 t-20 -72.75 -46.54 52.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.46 -0.775 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.456 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 2.4 tt0 -66.88 -43.13 84.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.61 -42.29 98.67 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.626 0.727 . . . . 0.0 109.845 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.26 -40.14 95.39 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 5' ' ' ASN . 45.6 t -59.61 -44.03 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.607 -0.683 . . . . 0.0 109.875 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 4.1 mp0 -63.31 -35.82 81.63 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.219 -0.926 . . . . 0.0 109.708 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' B' ' 15' ' ' SER . 9.7 ttm180 -59.66 -42.13 92.13 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.25 -0.907 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.84 -42.03 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 109.001 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -51.13 -44.55 61.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 0.0 108.634 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 mt -98.91 0.39 43.99 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.475 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.3 m 39.2 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.495 0.664 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -109.11 133.31 53.17 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.721 0.772 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p -84.96 153.29 22.89 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.854 0.835 . . . . 0.0 110.014 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.2 -36.99 80.43 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.727 0.775 . . . . 0.0 109.612 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.01 -41.98 99.72 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.488 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 72.3 m -60.49 -47.14 87.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 109.357 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.1 t -64.81 -44.73 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.379 -0.826 . . . . 0.0 109.826 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' B' ' 27' ' ' ILE . . . -65.07 -24.72 67.54 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 109.371 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.65 -44.71 81.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.433 -0.792 . . . . 0.0 109.505 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.7 -55.31 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.784 0.802 . . . . 0.0 110.105 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mtp -65.3 -40.45 93.81 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.591 0.71 . . . . 0.0 109.709 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.79 5.55 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.445 ' O ' ' HB1' ' B' ' 22' ' ' ALA . 34.7 pt -123.26 162.82 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.621 -0.929 . . . . 0.0 109.994 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -67.54 150.06 49.32 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 122.108 0.956 . . . . 0.0 110.296 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 mtm-85 -63.54 -37.23 86.54 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.265 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.53 -37.27 86.96 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.699 0.762 . . . . 0.0 109.063 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.1 -39.93 87.88 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.645 0.736 . . . . 0.0 109.024 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 47' ' ' TYR . 13.9 tp -63.72 -41.2 98.11 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.789 0.804 . . . . 0.0 109.62 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 89.4 m -63.77 -34.87 78.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 109.578 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -61.87 -40.39 95.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.428 -0.795 . . . . 0.0 109.18 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.7 -43.37 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.768 . . . . 0.0 109.406 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.421 ' CD ' HH21 ' B' ' 11' ' ' ARG . 28.5 tp10 -68.19 -30.98 70.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.602 -0.687 . . . . 0.0 109.749 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -85.19 0.28 52.29 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.289 -0.882 . . . . 0.0 109.655 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 56.4 m -88.09 117.6 27.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.24 -0.913 . . . . 0.0 109.905 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -95.34 -9.78 31.96 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.2 p -106.84 135.72 47.91 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.418 -0.801 . . . . 0.0 109.771 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.96 150.01 39.86 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.886 -0.509 . . . . 0.0 109.921 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.85 160.11 50.43 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 123.081 2.521 . . . . 0.0 113.216 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -64.46 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.392 0.615 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -48.34 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.304 -0.873 . . . . 0.0 109.929 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.2 -43.5 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.402 -0.811 . . . . 0.0 109.559 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -62.07 -39.57 92.87 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.715 0.769 . . . . 0.0 109.209 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.418 ' OH ' ' NE ' ' A' ' 11' ' ' ARG . 68.8 t80 -62.09 -42.02 98.79 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.76 0.791 . . . . 0.0 109.438 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.27 -42.96 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 121.84 0.828 . . . . 0.0 108.901 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.12 74.21 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.616 0.722 . . . . 0.0 109.578 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.19 -40.6 96.57 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.66 -40.76 88.81 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.269 -0.894 . . . . 0.0 108.637 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.665 HH21 HD11 ' A' ' 70' ' ' LEU . 11.3 tpt180 -60.7 -35.79 77.17 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.275 -0.891 . . . . 0.0 108.751 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -56.06 -21.49 22.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 108.84 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -99.39 -3.73 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 38.17 24.26 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.466 HG22 HD11 ' A' ' 14' ' ' LEU . 49.1 t -71.37 -19.71 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.266 -1.138 . . . . 0.0 109.217 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.28 67.47 0.94 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.445 0.641 . . . . 0.0 109.962 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 5.94 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.943 . . . . 0.0 109.062 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.04 -42.17 98.9 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.874 0.845 . . . . 0.0 108.985 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.714 ' HB1' HH21 ' B' ' 64' ' ' ARG . . . -79.31 -22.09 45.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.551 -0.718 . . . . 0.0 109.376 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 6' ' ' GLU . 55.9 tp -63.59 -49.42 73.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.497 -0.752 . . . . 0.0 109.895 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -72.17 -42.94 65.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 109.385 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.01 -19.24 51.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 108.399 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.714 HH21 ' HB1' ' B' ' 60' ' ' ALA . 4.1 tpp85 -66.45 -42.33 87.78 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.838 0.828 . . . . 0.0 109.086 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' B' ' 66' ' ' ILE . 96.3 mt -87.46 -48.03 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 -178.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' B' ' 65' ' ' ILE . 96.5 mt -39.67 123.82 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 CA-C-O 122.027 0.918 . . . . 0.0 110.841 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.409 ' O ' ' CG ' ' B' ' 68' ' ' ASN . 27.4 m -71.1 170.77 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-O 122.062 0.934 . . . . 0.0 111.269 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' B' ' 67' ' ' VAL . 3.6 p30 58.01 136.13 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.021 0.915 . . . . 0.0 111.327 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -90.61 116.32 28.41 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.672 0.749 . . . . 0.0 109.824 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.29 145.92 43.59 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.755 0.788 . . . . 0.0 110.318 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -55.82 116.06 2.73 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.694 0.759 . . . . 0.0 109.113 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -158.48 89.11 0.95 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.452 -0.78 . . . . 0.0 109.458 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.56 -167.8 2.62 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.55 0.691 . . . . 0.0 109.611 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.87 81.37 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.609 0.719 . . . . 0.0 109.502 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' B' ' 77' ' ' HIS . 21.5 t-160 44.49 90.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.804 0.812 . . . . 0.0 110.064 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -42.01 92.28 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.643 0.735 . . . . 0.0 110.336 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 75' ' ' HIS . 3.7 t-80 . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 118.12 -0.943 . . . . 0.0 108.804 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 tpp . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -84.37 -171.1 3.43 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.521 0.677 . . . . 0.0 109.99 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -61.28 -51.71 67.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.514 -0.741 . . . . 0.0 110.25 -178.55 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -68.35 -32.69 72.97 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.784 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.39 -42.97 98.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.677 -0.639 . . . . 0.0 110.211 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 40.5 mt-10 -66.11 -38.54 88.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' B' ' 51' ' ' LEU . 37.2 tp -62.96 -40.96 99.29 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.456 0.646 . . . . 0.0 109.808 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.96 -37.54 87.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.481 -0.762 . . . . 0.0 109.638 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.36 -44.99 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.749 -0.595 . . . . 0.0 109.68 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 1.3 mp0 -67.14 -38.82 86.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.576 -0.702 . . . . 0.0 109.19 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 36' ' ' GLU . 62.1 ttp180 -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.58 -41.95 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.508 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 13' ' ' ARG . 14.9 ttm180 -58.47 -43.77 89.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.51 -0.744 . . . . 0.0 109.341 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' SER . 97.6 mt -92.05 -3.61 55.55 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LEU . 32.3 t 39.82 70.6 0.22 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.79 0.805 . . . . 0.0 110.163 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -103.75 134.9 46.29 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.822 0.82 . . . . 0.0 110.227 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -74.81 138.49 42.63 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 122.015 0.912 . . . . 0.0 109.895 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.74 -37.29 87.1 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.381 0.61 . . . . 0.0 109.536 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' H ' HH21 ' A' ' 29' ' ' ARG . 88.2 tttt -62.76 -43.49 98.66 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.325 0.583 . . . . 0.0 109.726 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -60.23 -50.26 74.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.539 -0.725 . . . . 0.0 110.148 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.53 -42.71 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.686 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.38 85.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.638 -0.664 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -67.85 -39.14 83.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.544 -0.722 . . . . 0.0 109.765 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.22 -41.71 85.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.444 -0.785 . . . . 0.0 109.692 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mtp -66.14 -37.83 86.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.728 -0.608 . . . . 0.0 109.541 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.62 15.2 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -126.21 165.37 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.655 -0.909 . . . . 0.0 110.038 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -87.49 171.09 10.79 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.818 0.818 . . . . 0.0 109.982 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.483 HH21 ' H ' ' A' ' 19' ' ' LYS . 62.6 mtt180 -62.17 -36.07 80.74 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.289 0.566 . . . . 0.0 109.702 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -46.37 -51.06 15.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.56 -0.712 . . . . 0.0 109.453 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -71.23 -37.03 72.04 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.533 0.682 . . . . 0.0 109.826 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.18 -43.32 99.1 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.594 0.711 . . . . 0.0 109.815 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.12 -36.03 77.07 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.492 0.663 . . . . 0.0 109.754 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -64.15 -38.62 91.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.759 -0.588 . . . . 0.0 109.758 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -62.51 -43.18 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.583 -0.698 . . . . 0.0 109.761 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 19.3 tt0 -61.35 -35.31 77.07 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.39 19.47 0.98 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.561 ' O ' ' N ' ' A' ' 40' ' ' THR . 69.7 m -80.03 -5.6 56.1 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 53.47 -78.18 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.232 0.539 . . . . 0.0 110.41 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 38' ' ' SER . 64.6 p -96.11 165.67 12.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.73 0.776 . . . . 0.0 109.964 -179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.43 161.36 34.75 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.753 -0.592 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.01 150.18 48.13 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.43 2.086 . . . . 0.0 112.764 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.08 -20.64 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.577 -0.702 . . . . 0.0 109.371 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 t -64.65 -42.28 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.508 -0.745 . . . . 0.0 109.05 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.11 -45.1 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.43 -36.79 83.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.576 -0.703 . . . . 0.0 109.213 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.35 -53.55 56.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.632 -0.667 . . . . 0.0 109.686 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 pt -67.1 -28.53 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.363 -0.836 . . . . 0.0 109.126 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.16 84.46 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 73.6 t80 -61.68 -45.37 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -38.43 91.08 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -61.91 -40.73 96.47 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.676 -0.64 . . . . 0.0 109.363 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.6 p -62.46 -21.52 65.51 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.546 -0.721 . . . . 0.0 109.118 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 30.7 mmtp -84.17 6.73 21.39 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.99 13.14 78.25 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.79 134.0 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.311 -1.111 . . . . 0.0 109.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -70.1 79.6 0.5 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 122.059 0.933 . . . . 0.0 109.709 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.9 tp -92.33 -33.39 14.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' HB2' HH22 ' B' ' 52' ' ' ARG . 6.8 p-10 -62.33 -47.06 85.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.561 -0.712 . . . . 0.0 109.989 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.69 74.97 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.633 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.98 -44.55 91.61 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.695 -0.628 . . . . 0.0 109.552 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' ILE . 8.2 m-85 -73.13 -50.38 23.01 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.551 -0.718 . . . . 0.0 109.875 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -41.22 -37.52 0.95 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.771 -0.581 . . . . 0.0 110.915 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -82.37 -25.07 34.14 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.724 -1.235 . . . . 0.0 110.051 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' PHE . 5.0 mm -67.97 -42.71 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.638 -0.664 . . . . 0.0 109.588 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.9 pt -71.21 -10.99 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 CA-C-O 121.427 0.632 . . . . 0.0 109.706 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 64' ' ' ARG . 5.5 p -48.4 137.78 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-O 121.937 0.875 . . . . 0.0 110.529 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 50.97 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.491 0.663 . . . . 0.0 110.23 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 71' ' ' GLU . 88.3 tttt -134.55 -91.36 0.33 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.6 mt 51.87 5.17 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.724 -0.61 . . . . 0.0 109.552 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' A' ' 69' ' ' LYS . 5.1 tp10 -102.52 138.44 39.43 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.955 0.883 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.49 ' HD1' ' H ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -150.37 137.93 19.78 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.111 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -66.25 159.9 25.52 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.587 0.708 . . . . 0.0 110.281 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.504 ' ND1' ' O ' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -98.04 46.36 1.01 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.628 -0.67 . . . . 0.0 109.622 -179.853 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 52.65 70.3 0.59 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.889 0.852 . . . . 0.0 109.693 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -146.64 147.16 30.75 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.56 0.695 . . . . 0.0 109.714 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.7 m80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.131 -0.937 . . . . 0.0 110.139 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.551 0.691 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -79.49 160.54 26.51 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.61 0.719 . . . . 0.0 110.132 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.13 -45.48 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.648 -0.658 . . . . 0.0 110.053 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -65.51 -37.78 87.77 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.468 0.652 . . . . 0.0 109.371 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.4 ' O ' HG23 ' B' ' 9' ' ' VAL . 24.9 t-20 -64.81 -45.62 85.46 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -70.72 -38.77 73.63 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.518 0.675 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.73 -41.72 98.0 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.557 0.694 . . . . 0.0 109.507 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.73 -39.88 95.48 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 5' ' ' ASN . 62.1 t -62.03 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.282 0.563 . . . . 0.0 109.514 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.1 -42.28 65.78 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' B' ' 15' ' ' SER . 59.8 ttt180 -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.699 -0.626 . . . . 0.0 109.507 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.7 -42.61 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.694 -0.629 . . . . 0.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -60.26 -43.5 96.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.46 -0.775 . . . . 0.0 109.334 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.9 mt -92.1 -4.05 54.88 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.457 ' N ' ' O ' ' B' ' 11' ' ' ARG . 15.6 m 40.15 51.63 2.69 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.86 0.838 . . . . 0.0 110.216 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.78 144.3 35.27 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.744 0.783 . . . . 0.0 110.209 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -92.92 139.28 30.7 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.799 0.809 . . . . 0.0 109.704 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.47 77.66 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.8 -44.79 95.22 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.386 0.613 . . . . 0.0 109.576 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -61.19 -49.08 78.63 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.395 0.617 . . . . 0.0 110.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.95 -45.0 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.442 -0.786 . . . . 0.0 109.927 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.96 69.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.1 88.47 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.592 0.71 . . . . 0.0 109.183 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.38 -46.87 37.6 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.69 0.757 . . . . 0.0 109.458 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -64.87 -39.32 93.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 32.07 36.06 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.1 pt -119.12 163.63 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.645 -0.915 . . . . 0.0 109.798 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m -66.58 149.39 50.54 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.912 0.863 . . . . 0.0 110.075 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -62.12 -33.2 74.02 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.321 0.582 . . . . 0.0 109.566 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.35 -44.21 92.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.602 -0.686 . . . . 0.0 109.557 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.94 -43.07 89.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.689 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.33 -41.11 96.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.533 -0.729 . . . . 0.0 109.876 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.73 -36.42 76.54 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.456 0.646 . . . . 0.0 109.759 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 38' ' ' SER . 34.3 m-20 -63.4 -40.45 97.23 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.309 0.576 . . . . 0.0 110.157 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.85 -43.73 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.789 -0.569 . . . . 0.0 109.611 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -66.92 -31.83 72.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.613 -0.679 . . . . 0.0 109.354 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -96.28 -7.1 36.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.387 -0.821 . . . . 0.0 109.415 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 34' ' ' ASN . 33.0 t -61.9 150.21 38.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.869 0.842 . . . . 0.0 110.332 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.2 -118.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.304 0.573 . . . . 0.0 110.031 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -87.56 169.25 12.34 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.954 0.883 . . . . 0.0 110.965 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.417 ' HB1' HG21 ' B' ' 45' ' ' VAL . . . -78.11 155.93 79.58 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.8 159.61 53.05 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.65 2.233 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.18 -16.83 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.64 -43.93 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.491 0.662 . . . . 0.0 109.623 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.417 HG21 ' HB1' ' B' ' 41' ' ' ALA . 54.2 t -62.35 -41.82 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 CA-C-O 121.493 0.664 . . . . 0.0 109.618 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -57.93 -40.92 81.61 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.51 -0.744 . . . . 0.0 109.246 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.52 -43.75 98.31 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.767 0.794 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.469 HG23 HD13 ' B' ' 58' ' ' LEU . 86.1 mt -63.49 -42.96 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-O 121.483 0.659 . . . . 0.0 109.705 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.16 73.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.631 -0.668 . . . . 0.0 109.585 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.624 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 13.3 t80 -61.13 -48.33 82.11 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 7' ' ' LEU . 92.4 mt -64.62 -39.45 93.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.407 HH22 ' HB2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -60.16 -40.93 91.64 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.399 0.619 . . . . 0.0 109.384 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t -58.0 -33.3 68.78 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.624 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 63.3 mttp -79.05 1.17 24.97 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.634 0.731 . . . . 0.0 109.065 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.76 88.11 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 57' ' ' ASP . 52.4 t -64.13 -21.0 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.504 -0.998 . . . . 0.0 109.069 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' B' ' 56' ' ' VAL . 10.1 t70 75.93 43.64 0.16 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.886 0.85 . . . . 0.0 108.824 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.469 HD13 HG23 ' B' ' 48' ' ' ILE . 5.5 tt -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.377 0.608 . . . . 0.0 109.881 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -44.24 -40.73 5.36 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.391 -0.818 . . . . 0.0 109.547 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.23 64.24 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.791 0.805 . . . . 0.0 109.243 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 58' ' ' LEU . 47.0 tp -60.27 -41.65 93.71 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -72.0 -41.98 66.98 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.603 -0.686 . . . . 0.0 110.795 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -51.59 -43.5 62.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.527 -0.733 . . . . 0.0 110.13 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.574 -0.704 . . . . 0.0 110.119 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 35.3 mm -94.06 -54.07 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.306 -0.871 . . . . 0.0 109.369 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 23.2 pt -68.77 135.92 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-O 122.029 0.918 . . . . 0.0 110.505 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.418 HG23 ' H ' ' B' ' 69' ' ' LYS . 16.9 m -153.22 -126.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.407 ' N ' HG23 ' B' ' 67' ' ' VAL . 3.8 m120 -85.76 -0.39 55.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.451 -0.781 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.418 ' H ' HG23 ' B' ' 67' ' ' VAL . 68.7 mttm 56.27 86.02 0.07 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.642 0.734 . . . . 0.0 109.957 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 68.8 mt -82.09 41.52 0.68 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.331 0.586 . . . . 0.0 109.822 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -168.35 129.44 1.32 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.514 -0.741 . . . . 0.0 109.772 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' B' ' 72' ' ' HIS . 6.9 t60 -94.32 55.11 1.95 Allowed 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.685 0.755 . . . . 0.0 109.204 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' B' ' 72' ' ' HIS . 69.2 m-70 41.67 -164.64 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.308 0.575 . . . . 0.0 110.133 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' B' ' 75' ' ' HIS . 40.3 t-80 -127.11 -113.53 0.28 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.582 -0.699 . . . . 0.0 109.605 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.446 ' N ' ' CG ' ' B' ' 74' ' ' HIS . 15.6 t-80 -154.94 79.75 1.07 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' B' ' 77' ' ' HIS . 63.7 m-70 -80.9 174.41 11.65 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.79 0.805 . . . . 0.0 110.484 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' B' ' 76' ' ' HIS . 16.4 p-80 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.657 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mtp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -81.23 177.76 8.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.406 -0.809 . . . . 0.0 110.015 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.42 -44.73 95.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.323 -0.861 . . . . 0.0 110.066 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 -39.27 78.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 110.467 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.7 t-20 -64.3 -42.39 96.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 0.0 109.955 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.27 -37.95 78.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.304 -0.873 . . . . 0.0 109.232 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -41.73 98.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.548 -0.72 . . . . 0.0 109.309 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -69.06 -42.07 76.73 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.885 -1.134 . . . . 0.0 109.988 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 5' ' ' ASN . 28.3 t -48.27 -64.46 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.112 -0.993 . . . . 0.0 110.506 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.43 -44.83 76.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.358 -0.839 . . . . 0.0 109.841 -179.033 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.8 -42.96 94.56 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.336 -0.852 . . . . 0.0 109.148 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.55 -43.39 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.817 -0.552 . . . . 0.0 109.906 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HE ' ' HA ' ' A' ' 10' ' ' GLU . 60.3 mtm180 -54.72 -43.74 72.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 109.609 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' SER . 90.6 mt -87.82 -0.89 57.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 108.6 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . 16.8 m 36.32 66.65 0.37 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.346 0.593 . . . . 0.0 110.225 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 85.0 mt -81.69 132.69 35.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.541 -0.724 . . . . 0.0 109.536 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -81.07 147.27 30.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.287 -0.883 . . . . 0.0 110.307 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.67 93.9 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.664 -0.648 . . . . 0.0 109.844 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -64.58 -45.76 85.63 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -64.96 -46.75 80.21 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.22 -0.925 . . . . 0.0 109.857 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -67.06 -47.21 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.354 -0.841 . . . . 0.0 110.021 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.79 94.99 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.0 110.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.09 -46.87 69.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 110.117 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -67.62 -49.03 65.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.386 -0.821 . . . . 0.0 110.01 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.91 -38.33 82.8 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.242 -0.911 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.95 44.01 4.9 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.7 pt -127.17 162.22 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.521 -0.988 . . . . 0.0 110.13 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -74.42 150.66 39.87 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.449 -0.782 . . . . 0.0 110.036 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -36.02 82.25 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -41.13 82.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.928 . . . . 0.0 109.129 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.35 -39.95 94.9 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.327 -0.858 . . . . 0.0 109.136 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.69 -45.9 90.65 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -37.27 84.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.97 -43.16 99.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.396 -0.815 . . . . 0.0 109.478 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.23 -42.95 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.0 109.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.19 -37.82 70.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.53 -0.731 . . . . 0.0 110.295 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -95.16 -3.9 47.02 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.121 -0.987 . . . . 0.0 109.372 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 147.79 45.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -0.898 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.5 31.12 1.5 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.661 -0.649 . . . . 0.0 109.281 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.92 108.09 6.07 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.262 -0.899 . . . . 0.0 109.075 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 150.96 94.0 Favored Pre-proline 0 N--CA 1.488 1.443 0 O-C-N 121.428 -0.795 . . . . 0.0 109.417 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.51 155.32 63.7 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.264 1.976 . . . . 0.0 112.958 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.64 -21.48 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.596 -0.69 . . . . 0.0 109.347 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.22 -44.17 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.39 -45.19 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.254 -0.904 . . . . 0.0 109.23 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.73 -40.78 98.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.26 -45.59 92.74 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.87 -43.03 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.232 0.539 . . . . 0.0 109.669 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.19 73.77 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.321 -0.862 . . . . 0.0 109.261 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.89 -47.38 85.23 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 51' ' ' LEU . 96.0 mt -65.7 -40.45 92.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.429 -0.794 . . . . 0.0 109.598 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -64.44 -36.65 84.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.147 -0.971 . . . . 0.0 109.749 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.0 p -59.79 -21.94 61.49 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.349 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -89.31 3.05 53.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.035 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.64 23.1 60.75 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.52 131.74 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.059 -1.259 . . . . 0.0 109.954 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.17 54.38 0.87 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.397 -0.814 . . . . 0.0 109.755 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp -77.98 -24.14 48.13 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -35.52 80.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.365 -0.835 . . . . 0.0 108.837 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.4 89.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.397 -0.815 . . . . 0.0 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -41.79 96.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.53 -36.84 83.86 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.166 -0.958 . . . . 0.0 110.425 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.43 -33.15 73.24 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.814 -1.179 . . . . 0.0 109.815 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' ILE . 35.3 mm -62.71 -42.37 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.873 . . . . 0.0 110.472 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' ILE . 96.7 mt -42.34 120.25 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.279 -0.888 . . . . 0.0 110.236 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.5 132.93 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.587 -0.696 . . . . 0.0 110.744 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' LEU . 64.6 m-80 -87.43 113.66 23.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.45 -0.782 . . . . 0.0 109.314 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 70' ' ' LEU . 61.1 tttp -68.98 67.2 0.15 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.22 -0.925 . . . . 0.0 110.101 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' ASN . 63.4 mt 41.89 -165.75 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.626 0.727 . . . . 0.0 110.986 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.06 124.66 30.66 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.662 0.744 . . . . 0.0 110.626 -179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.493 ' C ' ' HD1' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -161.61 -57.7 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.142 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' A' ' 75' ' ' HIS . 84.5 m-70 -67.48 -38.35 84.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 109.236 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 75' ' ' HIS . 18.0 t-160 34.59 -85.5 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.06 0.457 . . . . 0.0 111.401 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 73' ' ' HIS . 47.0 m80 -48.65 177.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.387 -0.821 . . . . 0.0 110.725 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 75' ' ' HIS . 1.4 t-80 38.99 96.62 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.427 0.632 . . . . 0.0 110.511 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.924 -1.036 . . . . 0.0 109.606 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtm . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 14.7 mt-10 62.13 136.99 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.51 0.671 . . . . 0.0 110.055 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.68 -43.14 97.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.484 -0.76 . . . . 0.0 109.769 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -55.86 -37.59 68.97 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.32 -0.862 . . . . 0.0 110.686 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.4 ' O ' HG23 ' B' ' 9' ' ' VAL . 20.3 t-20 -60.57 -45.96 91.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.943 -1.098 . . . . 0.0 111.012 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 6' ' ' GLU . 1.1 mp0 -69.21 -48.22 62.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.749 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.233 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -54.95 -42.36 72.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.771 . . . . 0.0 110.112 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 5' ' ' ASN . 67.1 t -60.53 -47.82 91.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.194 -0.942 . . . . 0.0 109.707 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.34 -30.84 65.11 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.784 -1.198 . . . . 0.0 109.35 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -61.39 -37.47 83.52 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.402 ' HA ' HH12 ' B' ' 11' ' ' ARG . 80.7 mt -85.01 -42.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.418 -0.801 . . . . 0.0 109.82 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -59.27 -42.14 90.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.082 -1.011 . . . . 0.0 108.64 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.05 -2.84 53.11 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m 41.01 82.77 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.278 0.561 . . . . 0.0 110.632 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.68 137.41 34.79 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.807 0.813 . . . . 0.0 109.775 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -94.46 123.58 37.97 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.674 0.75 . . . . 0.0 109.437 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.91 83.95 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.614 -0.679 . . . . 0.0 110.113 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.23 -0.919 . . . . 0.0 110.436 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -66.58 -46.62 75.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.156 -0.965 . . . . 0.0 109.998 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.75 -45.45 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.498 -0.751 . . . . 0.0 109.646 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.45 98.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.553 -0.717 . . . . 0.0 110.315 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.1 -49.5 71.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.197 -0.94 . . . . 0.0 109.674 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.86 -41.67 82.51 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.309 -0.869 . . . . 0.0 109.421 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -66.42 -39.34 88.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.501 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.55 11.02 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 27' ' ' ILE . 19.5 pt -127.02 165.85 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.355 -1.085 . . . . 0.0 110.1 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -74.14 153.26 39.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.449 -0.782 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -63.37 -36.06 82.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.609 -0.682 . . . . 0.0 109.745 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.91 -41.81 96.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.609 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.82 -41.42 97.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.905 . . . . 0.0 108.978 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.9 -41.95 99.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.549 -0.719 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -36.07 73.54 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.45 -0.781 . . . . 0.0 109.479 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.69 -39.22 90.68 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.91 97.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.589 -0.695 . . . . 0.0 109.458 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.03 -43.07 86.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.407 -0.808 . . . . 0.0 109.852 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -97.2 36.54 1.44 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.172 -0.955 . . . . 0.0 109.37 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -83.23 99.77 10.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.35 -0.843 . . . . 0.0 109.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -102.13 -10.46 19.62 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.5 m -125.49 93.68 3.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.75 153.99 89.29 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.375 -0.828 . . . . 0.0 109.773 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.76 162.26 43.21 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.677 2.251 . . . . 0.0 113.059 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.429 ' H ' HG22 ' B' ' 43' ' ' VAL . 9.3 m -59.18 -18.35 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.466 -0.771 . . . . 0.0 109.845 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.42 -42.97 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.982 . . . . 0.0 109.705 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.51 -44.04 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.147 -0.97 . . . . 0.0 109.356 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.64 -39.37 88.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.208 -0.932 . . . . 0.0 108.775 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.14 -47.31 85.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.46 -0.775 . . . . 0.0 109.358 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.92 -44.33 97.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.551 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.19 90.15 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.374 -0.829 . . . . 0.0 109.741 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.2 -46.59 88.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.35 -0.844 . . . . 0.0 108.883 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.582 HD13 ' OE1' ' A' ' 10' ' ' GLU . 86.0 mt -63.3 -42.93 99.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.42 -0.8 . . . . 0.0 109.503 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.449 HH11 ' HG3' ' B' ' 52' ' ' ARG . 25.7 tpt85 -64.47 -40.65 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.382 -0.824 . . . . 0.0 109.349 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -61.07 -18.2 56.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.465 -0.772 . . . . 0.0 109.509 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.425 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 98.4 mttt -91.04 2.81 56.04 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 108.951 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.65 1.52 65.89 Favored Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -63.33 137.35 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -1.203 . . . . 0.0 109.173 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 57' ' ' ASP . 10.3 p-10 -83.91 90.12 7.34 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.005 0.907 . . . . 0.0 110.816 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 3.9 mm? -86.21 -13.09 47.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.034 -1.041 . . . . 0.0 108.413 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 8.9 p-10 -67.72 -48.88 65.25 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.863 . . . . 0.0 109.61 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.42 91.47 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.14 -47.63 85.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.289 -0.882 . . . . 0.0 109.543 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.79 -38.26 89.96 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.762 -0.586 . . . . 0.0 110.072 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -55.94 -40.07 72.61 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.523 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -69.24 -36.15 76.86 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.126 -0.984 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.94 -46.65 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.81 -1.181 . . . . 0.0 110.766 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 pt -59.32 131.75 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.979 -1.076 . . . . 0.0 110.736 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.6 131.97 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.595 -0.691 . . . . 0.0 110.068 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -83.18 115.6 22.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 109.368 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -47.34 120.51 3.25 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.367 -0.833 . . . . 0.0 110.095 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.86 87.48 7.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 109.654 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.584 ' O ' ' N ' ' B' ' 73' ' ' HIS . 20.2 tp10 -173.08 172.6 3.87 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.592 ' O ' ' ND1' ' B' ' 72' ' ' HIS . 0.0 OUTLIER -58.18 71.98 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.06 -1.025 . . . . 0.0 111.386 -178.445 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' B' ' 71' ' ' GLU . 4.5 t60 -132.41 12.44 4.55 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -74.15 20.51 0.11 Allowed 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.521 ' H ' ' C ' ' B' ' 73' ' ' HIS . 39.0 m170 -77.64 153.41 33.18 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.431 -0.793 . . . . 0.0 109.795 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 77' ' ' HIS . 22.1 p80 -46.84 -14.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.288 -0.883 . . . . 0.0 110.574 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' B' ' 77' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.992 0 O-C-N 121.236 -0.915 . . . . 0.0 109.997 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mtp . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.577 0.703 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -65.13 137.56 57.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.416 -0.803 . . . . 0.0 109.472 -179.702 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.82 -41.54 95.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.562 -0.711 . . . . 0.0 110.279 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.9 m -57.51 -34.35 68.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.344 -0.847 . . . . 0.0 110.299 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -62.63 -40.3 96.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 0.0 110.06 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -64.91 -41.25 95.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.647 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.15 -42.35 99.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.249 -0.907 . . . . 0.0 109.235 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.16 -45.38 88.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 109.875 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.47 -47.42 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.0 110.035 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.86 -43.92 97.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.302 -0.874 . . . . 0.0 109.973 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -60.36 -44.35 95.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.073 -1.017 . . . . 0.0 108.822 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.99 -42.96 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.514 -0.742 . . . . 0.0 109.182 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.792 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.9 mt -85.66 -4.13 59.08 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p 42.1 59.17 2.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.679 -0.638 . . . . 0.0 110.041 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.96 142.13 30.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.455 -0.778 . . . . 0.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 p -82.14 136.68 35.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.464 -0.773 . . . . 0.0 110.428 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -65.41 -36.04 82.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.576 -0.702 . . . . 0.0 109.549 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.72 -46.9 85.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.883 . . . . 0.0 109.944 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.8 t -61.81 -45.18 94.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.911 . . . . 0.0 109.625 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -67.48 -42.67 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.309 -0.869 . . . . 0.0 109.666 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.69 90.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.0 110.407 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.76 -37.65 86.92 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.104 -0.997 . . . . 0.0 109.589 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.14 -44.19 60.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.06 -1.025 . . . . 0.0 109.418 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.37 -39.25 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.51 26.86 9.58 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -127.83 168.37 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.45 -1.029 . . . . 0.0 110.137 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 154.99 41.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.765 . . . . 0.0 110.117 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -61.72 -43.05 99.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.528 -0.733 . . . . 0.0 109.57 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.9 -36.7 85.2 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.177 -0.952 . . . . 0.0 108.957 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.09 -37.01 85.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.37 -0.831 . . . . 0.0 108.796 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 18' ' ' ALA . 13.7 tp -60.97 -44.77 96.85 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.221 -0.925 . . . . 0.0 108.68 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.87 -33.55 74.97 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.863 0.84 . . . . 0.0 108.98 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.93 -36.52 84.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.663 -0.648 . . . . 0.0 110.327 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -43.45 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.955 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -64.81 -36.87 85.74 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.493 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -107.74 38.53 2.14 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p -82.46 -92.02 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.526 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -166.54 -143.57 0.06 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.38 -0.825 . . . . 0.0 110.041 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 p -72.13 166.4 22.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.285 -0.884 . . . . 0.0 110.65 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.04 151.6 47.15 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.58 -0.7 . . . . 0.0 109.696 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.16 150.35 59.55 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.583 2.189 . . . . 0.0 112.762 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' B' ' 35' ' ' ILE . 7.1 p -63.86 -16.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.534 -0.729 . . . . 0.0 109.793 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.9 t -59.32 -42.56 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.592 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.37 -42.38 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.684 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CD ' ' SD ' ' B' ' 25' ' ' MET . 63.9 mttp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.961 -1.087 . . . . 0.0 109.144 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -54.98 39.09 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.6 mt -46.76 -36.16 3.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.312 -0.868 . . . . 0.0 109.296 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.05 93.52 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.428 -0.795 . . . . 0.0 109.685 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD11 HD21 ' B' ' 7' ' ' LEU . 91.5 mt -63.36 -42.44 98.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.894 . . . . 0.0 109.648 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -65.8 -37.84 87.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -0.909 . . . . 0.0 109.507 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.51 -20.5 55.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 0.0 109.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -90.64 2.97 55.41 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.4 57.86 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' LEU . 56.1 t -67.72 137.87 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -1.133 . . . . 0.0 110.071 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.53 63.23 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.589 0.709 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' VAL . 53.6 tp -65.57 -41.63 92.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.714 . . . . 0.0 109.325 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 28.4 p-10 -60.14 -43.7 95.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.414 -0.804 . . . . 0.0 110.18 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -65.6 -38.29 89.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.098 -1.001 . . . . 0.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 61' ' ' LEU . 4.1 tt -62.44 -52.75 62.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.822 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.61 -42.35 74.48 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.335 -0.853 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -48.78 -43.02 37.56 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 108.82 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -46.02 71.89 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.565 -0.709 . . . . 0.0 109.975 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' VAL . 96.5 mt -65.35 -43.6 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.145 -0.972 . . . . 0.0 110.444 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.54 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.116 -0.99 . . . . 0.0 109.943 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ILE . 7.4 p -113.26 131.53 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-O 121.596 0.712 . . . . 0.0 109.839 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -72.23 -166.68 0.26 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.445 -0.784 . . . . 0.0 109.646 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' LEU . 68.7 mttm 56.53 14.85 1.82 Allowed 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 70' ' ' LEU . 10.3 mp 38.06 80.44 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.551 0.691 . . . . 0.0 110.389 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -101.32 -40.26 7.2 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.455 ' CG ' ' N ' ' A' ' 73' ' ' HIS . 30.4 p80 -70.36 -39.15 74.8 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.477 -0.764 . . . . 0.0 109.665 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.455 ' N ' ' CG ' ' A' ' 72' ' ' HIS . 11.2 t-80 -77.34 121.24 23.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.186 -0.946 . . . . 0.0 109.879 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -176.08 111.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -146.37 -58.33 0.3 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.191 -0.943 . . . . 0.0 108.577 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -77.81 157.51 29.91 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.431 -0.793 . . . . 0.0 109.994 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 60.0 m80 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.095 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -81.06 157.65 25.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.394 -0.816 . . . . 0.0 110.201 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.23 -44.05 96.33 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.449 -0.782 . . . . 0.0 109.693 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -67.82 -35.75 79.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.95 -43.74 97.97 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.138 -0.976 . . . . 0.0 108.606 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.475 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 4.5 mm-40 -69.73 -42.9 73.36 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.64 ' O ' HD23 ' B' ' 7' ' ' LEU . 3.8 tt -57.91 -41.54 82.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.746 . . . . 0.0 109.202 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.03 -39.96 94.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.396 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.28 -46.65 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.188 -0.945 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 6.0 mp0 -66.53 -38.32 86.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.115 -0.991 . . . . 0.0 109.64 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -59.45 -46.89 87.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -0.999 . . . . 0.0 108.797 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.45 -40.65 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.482 -0.761 . . . . 0.0 109.446 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -53.61 -41.82 67.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.373 -0.829 . . . . 0.0 109.427 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -83.74 -8.16 59.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.08 -1.013 . . . . 0.0 108.769 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.468 ' C ' HD22 ' B' ' 16' ' ' LEU . 3.4 t 59.04 61.92 2.0 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.182 0.515 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 15' ' ' SER . 4.2 mm? -110.38 133.0 53.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 121.86 0.838 . . . . 0.0 109.645 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -86.88 154.56 20.76 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.612 0.72 . . . . 0.0 109.675 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.98 82.03 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.511 -0.743 . . . . 0.0 109.274 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.12 -42.39 99.53 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.498 -0.752 . . . . 0.0 109.655 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -60.31 -50.86 71.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.172 -0.955 . . . . 0.0 110.152 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.14 -44.06 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-O 121.718 0.77 . . . . 0.0 109.828 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.23 70.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.494 -0.754 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -67.62 -35.5 79.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.257 -0.902 . . . . 0.0 109.385 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.64 -68.47 0.33 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.423 -0.798 . . . . 0.0 109.235 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.406 ' SD ' ' CD ' ' A' ' 46' ' ' LYS . 68.0 mtm -67.02 -39.09 86.96 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.692 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.46 52.69 2.28 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -122.1 163.56 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.527 -0.984 . . . . 0.0 109.793 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -66.38 146.97 53.96 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.476 -0.765 . . . . 0.0 110.332 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.5 -33.07 72.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.632 -0.668 . . . . 0.0 109.213 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -63.63 -40.83 97.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.918 . . . . 0.0 109.524 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.88 -45.68 88.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.276 -0.89 . . . . 0.0 109.839 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.05 -42.15 97.12 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.205 -0.935 . . . . 0.0 109.374 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -60.64 -34.15 73.84 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.822 0.82 . . . . 0.0 109.124 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 38' ' ' SER . 21.0 t30 -66.21 -33.98 76.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.235 -0.916 . . . . 0.0 110.003 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.421 HD11 ' CG1' ' A' ' 43' ' ' VAL . 96.4 mt -62.15 -46.54 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.997 -1.064 . . . . 0.0 110.199 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -70.07 -23.07 63.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.482 -0.762 . . . . 0.0 109.673 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -107.98 2.84 23.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.535 -0.728 . . . . 0.0 109.507 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 34' ' ' ASN . 21.0 p -63.48 171.55 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.01 -1.056 . . . . 0.0 110.419 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -71.83 -121.29 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.559 -0.713 . . . . 0.0 110.188 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.2 t -92.07 -174.05 3.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.407 -0.808 . . . . 0.0 110.655 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.58 150.95 57.88 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.17 157.38 59.77 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.655 2.236 . . . . 0.0 113.114 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.75 -22.83 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.589 -0.694 . . . . 0.0 110.107 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.0 -43.51 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.116 -0.99 . . . . 0.0 109.6 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 83.7 t -61.6 -43.74 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 109.329 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.39 -40.98 96.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.188 -0.945 . . . . 0.0 108.788 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.46 -46.55 89.6 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.0 0.905 . . . . 0.0 108.634 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.07 -42.28 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 108.971 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.529 -0.732 . . . . 0.0 110.079 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -62.1 -48.88 78.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.11 -0.994 . . . . 0.0 108.644 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.37 -39.94 89.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 109.497 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.09 -41.8 98.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.413 -0.804 . . . . 0.0 109.912 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 36.0 t -59.13 -17.83 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.639 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -94.19 -1.23 54.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 108.964 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.52 25.54 60.78 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' B' ' 58' ' ' LEU . 59.3 t -67.14 136.87 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.127 -1.219 . . . . 0.0 109.664 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 82.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.617 0.722 . . . . 0.0 109.712 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 56' ' ' VAL . 54.2 tp -91.54 -50.72 5.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.563 -0.71 . . . . 0.0 110.273 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -60.94 -41.27 95.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.877 . . . . 0.0 109.914 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.14 91.98 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 109.438 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.34 -48.11 82.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.433 -0.792 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' B' ' 63' ' ' ASP . 9.7 m-85 -69.58 -42.23 74.74 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.535 -0.728 . . . . 0.0 109.77 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 62' ' ' PHE . 33.0 t70 -40.25 -45.47 2.08 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.453 0.644 . . . . 0.0 109.963 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -69.73 -42.51 73.88 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.563 -0.71 . . . . 0.0 109.381 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' B' ' 66' ' ' ILE . 96.9 mt -66.08 -42.36 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.203 -0.936 . . . . 0.0 109.949 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' B' ' 65' ' ' ILE . 4.8 mm -37.79 118.88 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 121.646 0.736 . . . . 0.0 110.428 -178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 71.3 t -95.65 126.83 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 -17.49 9.38 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -116.32 -120.8 0.3 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.602 -0.686 . . . . 0.0 110.526 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' B' ' 71' ' ' GLU . 75.0 mt -76.57 -166.34 0.64 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.298 -0.876 . . . . 0.0 110.564 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' B' ' 73' ' ' HIS . 0.1 OUTLIER 78.53 43.54 0.08 Allowed 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 73' ' ' HIS . 74.9 m-70 -70.05 39.54 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.418 -0.801 . . . . 0.0 109.525 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' B' ' 71' ' ' GLU . 1.6 t-80 47.45 99.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.527 -0.733 . . . . 0.0 110.109 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -71.66 127.65 33.26 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.309 -0.869 . . . . 0.0 110.203 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.503 ' ND1' ' C ' ' B' ' 75' ' ' HIS . 2.1 t-80 -130.26 -38.29 1.4 Allowed 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -85.53 121.91 28.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.289 -0.882 . . . . 0.0 109.71 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.822 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' ND2' ' A' ' 5' ' ' ASN . 97.6 mmm . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.715 0.769 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.94 -179.59 4.97 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.634 0.731 . . . . 0.0 110.445 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.429 -0.794 . . . . 0.0 109.499 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -58.13 -36.76 73.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' ND2' ' SD ' ' A' ' 1' ' ' MET . 26.5 t-20 -62.86 -40.59 97.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.588 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -62.04 -44.65 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 0.0 109.789 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.11 -42.61 99.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.029 -1.044 . . . . 0.0 109.227 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.755 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.08 -45.31 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.447 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -64.84 -34.71 79.03 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.267 -0.896 . . . . 0.0 108.915 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' SER . 51.0 ttp180 -61.11 -47.32 86.84 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.93 -42.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 121.349 0.595 . . . . 0.0 109.51 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -54.71 -45.27 74.01 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.55 -0.17 38.27 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.209 -0.932 . . . . 0.0 108.499 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.0 t 45.16 79.82 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.517 -0.739 . . . . 0.0 109.738 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD22 ' NZ ' ' B' ' 54' ' ' LYS . 76.4 mt -104.82 132.98 50.39 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.452 -0.78 . . . . 0.0 109.424 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -79.93 135.02 36.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.381 -0.824 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.36 84.99 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.503 -0.748 . . . . 0.0 109.816 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.09 -45.51 93.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.277 -0.889 . . . . 0.0 109.683 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -61.33 -46.29 90.89 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.304 -0.873 . . . . 0.0 110.105 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.48 -46.09 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.331 -0.855 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.53 93.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.91 . . . . 0.0 110.078 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.63 -46.91 62.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 110.431 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.98 -35.82 72.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 110.205 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -62.62 -38.37 89.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.895 . . . . 0.0 109.32 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.73 9.42 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -126.52 162.25 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.975 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -65.12 154.23 38.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.437 -0.789 . . . . 0.0 110.263 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -63.08 -38.98 93.36 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.73 -40.37 97.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.284 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.89 -40.4 95.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.59 -39.9 95.57 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 0.0 109.109 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.5 m -56.21 -38.86 71.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.99 -41.49 98.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.333 -0.854 . . . . 0.0 109.269 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.93 -42.83 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.0 109.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.02 -39.19 93.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.231 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.72 6.81 48.0 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.841 -1.162 . . . . 0.0 109.063 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -62.23 122.59 16.0 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.296 -0.877 . . . . 0.0 109.886 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -109.78 -7.35 15.06 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -114.05 123.13 48.91 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.34 152.88 37.95 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.367 -0.833 . . . . 0.0 109.568 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.54 159.63 50.73 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.77 2.313 . . . . 0.0 112.88 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.89 -16.99 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.267 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.81 -44.86 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.96 -44.34 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.155 -0.966 . . . . 0.0 109.32 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.9 -40.97 97.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.0 109.254 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.78 -44.49 96.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.113 -0.992 . . . . 0.0 108.359 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.18 -43.14 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.547 -0.72 . . . . 0.0 109.476 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.37 75.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 109.343 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -61.41 -44.75 96.6 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.436 -0.79 . . . . 0.0 108.898 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD11 HD11 ' B' ' 7' ' ' LEU . 96.1 mt -63.42 -40.53 97.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.261 -0.9 . . . . 0.0 108.95 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -61.16 -40.49 94.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.556 -0.715 . . . . 0.0 109.655 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.0 p -60.36 -21.16 61.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -93.32 -1.93 55.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.019 -1.051 . . . . 0.0 108.788 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 73.31 40.01 50.14 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 120.112 -1.042 . . . . 0.0 110.55 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.95 -18.08 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.925 -1.338 . . . . 0.0 109.249 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.5 m-20 63.57 56.14 1.64 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.583 0.706 . . . . 0.0 109.706 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.627 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -64.96 -39.32 93.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 179.586 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 3.9 p-10 -39.57 -39.37 0.72 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.657 -0.652 . . . . 0.0 110.33 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.86 94.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.212 -0.93 . . . . 0.0 109.368 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' LEU . 96.7 mt -64.29 -43.42 94.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -64.01 -40.45 96.38 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.508 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.17 -34.98 75.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.456 -0.778 . . . . 0.0 109.127 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -67.02 -21.78 65.92 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 109.952 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.6 mm -71.74 -42.82 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.882 -1.136 . . . . 0.0 109.374 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.589 ' C ' ' H ' ' A' ' 68' ' ' ASN . 14.6 pt -95.64 -41.86 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.416 -0.803 . . . . 0.0 109.991 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 67' ' ' VAL . 79.7 t 56.07 -3.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.498 -0.751 . . . . 0.0 109.606 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.589 ' H ' ' C ' ' A' ' 66' ' ' ILE . 54.0 p30 -84.74 -167.11 1.68 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 109.74 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt 56.67 90.59 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.762 . . . . 0.0 109.899 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.01 -170.92 2.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.464 -0.773 . . . . 0.0 109.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 73.38 28.47 1.76 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.23 162.59 40.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.128 -0.982 . . . . 0.0 109.064 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -150.03 169.21 21.76 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.099 -1.001 . . . . 0.0 109.915 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -86.34 131.94 34.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.22 -0.925 . . . . 0.0 109.273 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -67.59 -41.88 83.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.265 -0.897 . . . . 0.0 109.599 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' A' ' 77' ' ' HIS . 9.3 p80 -147.54 35.79 0.88 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.396 -0.815 . . . . 0.0 108.847 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.476 ' OXT' ' CG ' ' A' ' 77' ' ' HIS . 35.1 t60 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.172 -0.918 . . . . 0.0 109.518 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' B' ' 5' ' ' ASN . 15.1 pt-20 -61.4 174.18 0.77 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.502 -0.748 . . . . 0.0 110.662 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.89 -41.19 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.48 -0.762 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -60.0 -34.41 73.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.967 -1.083 . . . . 0.0 109.11 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.462 ' H ' ' HG3' ' B' ' 2' ' ' GLU . 0.4 OUTLIER -65.28 -40.72 94.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.497 -0.752 . . . . 0.0 109.323 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.95 -36.26 82.85 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.287 -0.883 . . . . 0.0 109.171 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.4 HD11 HD11 ' A' ' 51' ' ' LEU . 55.5 tp -62.58 -42.83 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.531 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -38.06 88.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 109.378 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.86 -42.93 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.281 -0.887 . . . . 0.0 109.134 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.458 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 89.4 mt-10 -55.45 -41.77 73.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.297 -0.877 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 15' ' ' SER . 10.5 ttp180 -60.39 -47.07 87.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.366 -0.834 . . . . 0.0 108.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.51 -42.69 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' B' ' 13' ' ' ARG . 41.8 ttt-85 -56.76 -45.72 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.479 -0.763 . . . . 0.0 109.337 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' B' ' 15' ' ' SER . 96.5 mt -98.41 1.55 46.98 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 36.82 76.01 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.74 160.03 21.35 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.759 0.79 . . . . 0.0 110.026 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -97.08 126.05 41.97 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.83 82.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.58 -0.7 . . . . 0.0 109.544 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -63.92 -43.06 97.03 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -50.11 73.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 110.129 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.41 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 85.8 t -68.56 -45.18 82.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 110.091 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.296 -0.877 . . . . 0.0 110.552 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.53 -45.56 82.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.261 -0.899 . . . . 0.0 109.895 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.25 -43.64 73.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.519 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.41 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 91.5 mtp -66.18 -39.66 89.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 109.733 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.39 33.3 4.26 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -130.29 165.7 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.419 -1.048 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -79.17 167.99 20.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.82 . . . . 0.0 110.534 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' B' ' 29' ' ' ARG . 50.2 mtm-85 -64.93 -36.94 85.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.57 -0.706 . . . . 0.0 109.342 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.78 -48.07 78.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.27 -0.894 . . . . 0.0 110.217 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.14 -41.65 88.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 0.0 109.082 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.91 -39.71 94.79 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.397 -0.814 . . . . 0.0 109.21 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 t -58.91 -32.29 69.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.0 109.083 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.19 -39.03 89.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.224 -0.923 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -44.54 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.321 -0.862 . . . . 0.0 110.64 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -78.24 -15.08 59.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.892 -1.13 . . . . 0.0 108.995 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -98.63 11.82 37.27 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.8 142.77 52.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.858 . . . . 0.0 110.535 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -104.68 -36.96 7.27 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.6 p -131.88 156.58 45.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.554 -0.716 . . . . 0.0 109.529 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.71 151.95 38.79 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.43 160.5 49.55 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.64 2.227 . . . . 0.0 112.728 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.43 -19.38 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.0 109.131 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.17 -44.97 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.331 -0.856 . . . . 0.0 109.116 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.34 -44.2 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.317 -0.864 . . . . 0.0 109.049 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.81 -41.34 97.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.838 . . . . 0.0 109.236 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.97 -44.28 97.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.32 -0.863 . . . . 0.0 109.183 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.517 HG23 HD21 ' B' ' 58' ' ' LEU . 94.4 mt -63.18 -43.5 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.61 -34.6 75.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.424 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.02 -49.01 79.33 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.347 -0.846 . . . . 0.0 108.85 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.78 -39.16 87.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.529 -0.732 . . . . 0.0 109.121 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' B' ' 52' ' ' ARG . 29.0 ttp180 -61.94 -41.19 97.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.3 -0.875 . . . . 0.0 109.501 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -62.79 -18.52 62.83 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.025 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.631 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 99.3 mttt -90.37 4.2 51.55 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.31 78.57 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.587 ' O ' ' N ' ' B' ' 58' ' ' LEU . 51.0 t -64.56 145.55 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.055 -1.262 . . . . 0.0 109.526 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.3 72.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.571 0.701 . . . . 0.0 109.528 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -69.01 -43.07 75.54 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.57 0.7 . . . . 0.0 110.618 -178.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.76 -41.1 97.24 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.93 81.96 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.47 -0.769 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.41 -50.71 72.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.074 -1.016 . . . . 0.0 110.1 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.24 -40.05 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.242 -0.911 . . . . 0.0 110.651 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.48 ' HB3' HH21 ' B' ' 64' ' ' ARG . 16.4 t0 -62.47 -38.46 89.92 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.519 -0.738 . . . . 0.0 110.431 -178.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.575 ' CA ' ' HE ' ' B' ' 64' ' ' ARG . 0.0 OUTLIER -58.92 -16.08 15.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.908 -1.12 . . . . 0.0 108.358 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mm -92.0 -59.0 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 68' ' ' ASN . 97.1 mt -65.49 -43.69 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.498 -0.751 . . . . 0.0 109.619 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t 66.09 -42.98 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 CA-C-O 121.253 0.549 . . . . 0.0 109.81 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 66' ' ' ILE . 29.5 m120 -68.68 122.32 18.29 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.293 -0.879 . . . . 0.0 110.376 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -169.75 90.6 0.2 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 91.0 mt -76.28 148.82 37.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.465 -0.772 . . . . 0.0 110.341 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLU . . . . . 0.63 ' CD ' ' H ' ' B' ' 71' ' ' GLU . 0.7 OUTLIER -91.44 115.86 28.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.468 -0.77 . . . . 0.0 108.974 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' B' ' 72' ' ' HIS . 5.8 p-80 -137.17 66.24 1.47 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -43.73 154.18 0.1 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.453 -0.78 . . . . 0.0 110.273 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' HIS . . . . . 0.479 ' C ' ' ND1' ' B' ' 75' ' ' HIS . 62.4 m80 -92.15 21.01 5.39 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.4 -0.812 . . . . 0.0 108.878 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.479 ' ND1' ' C ' ' B' ' 74' ' ' HIS . 0.0 OUTLIER 53.78 175.08 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.591 -0.693 . . . . 0.0 110.196 179.277 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.95 -98.07 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.676 -0.64 . . . . 0.0 110.372 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' B' ' 75' ' ' HIS . 28.9 t-80 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.957 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.286 0.565 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.41 -43.06 99.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.424 -0.797 . . . . 0.0 109.834 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -75.71 -33.51 60.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.824 -1.173 . . . . 0.0 109.97 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.4 -45.62 90.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.094 -1.003 . . . . 0.0 110.096 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -69.32 -34.5 74.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.113 -0.992 . . . . 0.0 108.958 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 5.4 tp -60.75 -33.48 72.99 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -74.49 -36.53 63.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.46 -46.55 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.328 -0.858 . . . . 0.0 110.509 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 22.2 pt-20 -65.19 -42.34 93.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.7 -1.25 . . . . 0.0 109.144 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 15' ' ' SER . 42.8 ttm180 -62.6 -47.17 84.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.886 -1.134 . . . . 0.0 109.148 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.58 -43.34 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.419 -0.801 . . . . 0.0 109.98 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -59.58 -43.64 93.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.387 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.0 -4.16 47.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 108.781 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 11' ' ' ARG . 34.7 t 45.14 78.68 0.06 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.376 -0.828 . . . . 0.0 110.048 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.1 mt -112.33 133.22 54.55 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.427 -0.796 . . . . 0.0 109.3 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 21' ' ' VAL . 12.3 p -85.61 159.44 19.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.191 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.22 -38.59 75.28 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.61 -48.18 73.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.51 -0.744 . . . . 0.0 109.877 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.7 t -63.28 -44.91 93.76 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.099 -1.0 . . . . 0.0 109.365 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 17' ' ' THR . 73.8 t -66.23 -43.75 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.444 -0.785 . . . . 0.0 110.161 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.8 99.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.074 -1.016 . . . . 0.0 110.35 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.91 -43.2 79.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.799 -1.188 . . . . 0.0 109.466 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.1 -43.51 78.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.183 -0.948 . . . . 0.0 109.381 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 86.1 mmm -66.08 -39.31 89.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -0.793 . . . . 0.0 109.548 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.1 26.97 14.53 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.3 164.9 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.688 -0.889 . . . . 0.0 109.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -73.72 155.31 39.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -63.89 -34.95 79.09 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.26 -41.02 87.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 109.145 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.07 -38.76 92.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.303 -0.873 . . . . 0.0 108.923 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.86 -42.0 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.41 -0.807 . . . . 0.0 109.008 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.9 m -62.13 -33.81 75.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.51 -38.82 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.81 -43.25 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 108.996 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HG2' HH22 ' A' ' 11' ' ' ARG . 98.4 mt-10 -63.84 -35.3 80.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.511 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -89.48 6.82 39.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.244 -0.91 . . . . 0.0 109.657 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -65.03 159.42 23.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 109.286 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.7 pm0 -108.51 118.94 38.08 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.657 0.741 . . . . 0.0 109.575 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 39' ' ' GLU . 20.5 p 46.2 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.528 0.68 . . . . 0.0 110.29 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.37 146.3 37.51 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.339 -0.85 . . . . 0.0 109.092 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.51 159.43 42.97 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.392 2.061 . . . . 0.0 111.956 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 m -62.87 -28.26 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.342 -0.849 . . . . 0.0 109.742 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.73 -46.93 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.187 -0.946 . . . . 0.0 109.271 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.72 -43.02 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 0.0 109.519 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.37 -41.11 96.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.85 . . . . 0.0 109.313 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.22 -44.3 97.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.44 -42.74 96.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.352 -0.842 . . . . 0.0 109.319 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -33.64 67.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.976 . . . . 0.0 108.715 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CE2' HG22 ' B' ' 21' ' ' VAL . 29.4 t80 -61.86 -43.89 97.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.377 -0.827 . . . . 0.0 109.302 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 2.4 mm? -61.33 -40.26 93.58 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.13 -0.981 . . . . 0.0 108.906 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.529 HH22 HH22 ' B' ' 52' ' ' ARG . 15.9 ttm180 -62.81 -38.76 91.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.01 -1.056 . . . . 0.0 108.652 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -58.39 -19.09 32.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.201 -0.937 . . . . 0.0 109.043 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -91.71 5.26 50.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.336 -0.852 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.82 18.18 70.84 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.76 134.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.963 -1.316 . . . . 0.0 109.741 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.91 70.94 0.51 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.283 -0.885 . . . . 0.0 109.43 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.49 -41.99 98.54 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.463 -0.773 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -59.67 -42.82 93.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.74 76.48 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.131 -0.98 . . . . 0.0 109.064 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.1 -48.95 79.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.854 . . . . 0.0 109.892 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.68 -35.04 74.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.993 -1.067 . . . . 0.0 109.835 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.95 -35.1 74.24 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.98 -40.65 91.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.642 -0.661 . . . . 0.0 110.158 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.312 -0.868 . . . . 0.0 110.633 -178.411 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 N--CA 1.499 2.017 0 CA-C-O 121.731 0.776 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.59 -41.96 99.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.6 m -59.5 -41.07 89.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.67 -41.22 98.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.63 -35.45 78.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.203 -0.935 . . . . 0.0 109.807 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.0 -44.38 97.49 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -66.21 -39.39 89.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.196 -0.94 . . . . 0.0 110.006 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.585 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.1 -39.21 93.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.098 -1.001 . . . . 0.0 109.19 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.433 HH22 ' CB ' ' B' ' 36' ' ' GLU . 32.8 ttm180 -61.64 -45.3 94.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.0 108.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.27 -43.7 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.294 0.569 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -61.8 -41.39 97.69 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' B' ' 15' ' ' SER . 94.3 mt -85.95 -8.26 58.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.1 p 40.3 48.05 2.27 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.432 0.634 . . . . 0.0 109.488 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.64 159.81 26.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.371 -0.83 . . . . 0.0 110.174 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -105.51 134.41 48.66 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.754 0.787 . . . . 0.0 109.935 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -23.2 66.85 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 0.0 109.395 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.92 -46.16 91.77 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.487 -0.758 . . . . 0.0 109.273 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -72.55 -41.37 65.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.392 -0.817 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 50' ' ' PHE . 94.7 t -62.58 -46.55 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 0.0 110.66 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.12 89.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.929 -1.107 . . . . 0.0 110.191 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.13 -44.9 82.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.876 -1.14 . . . . 0.0 109.154 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.17 -40.8 64.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.341 -0.85 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.55 -39.92 92.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.173 -0.954 . . . . 0.0 109.453 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.9 29.09 16.43 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.67 166.78 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.433 -1.04 . . . . 0.0 109.758 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -69.17 149.26 48.81 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 108.89 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.46 -36.04 82.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 109.051 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -58.96 -42.18 89.24 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.11 -34.02 77.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 109.339 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.73 -43.16 94.3 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.56 -37.53 86.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -68.55 -29.82 68.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.284 -0.885 . . . . 0.0 110.492 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.7 -44.79 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.796 -1.19 . . . . 0.0 109.346 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.433 ' CB ' HH22 ' B' ' 11' ' ' ARG . 8.8 pt-20 -69.84 -35.55 74.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.979 -1.076 . . . . 0.0 109.167 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' B' ' 39' ' ' GLU . 75.2 mt-30 -90.49 13.53 15.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.178 -0.951 . . . . 0.0 109.381 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.513 ' O ' ' N ' ' B' ' 40' ' ' THR . 88.7 p -68.5 34.69 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.157 -0.965 . . . . 0.0 110.115 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 37' ' ' GLN . 53.0 mt-10 53.16 -86.53 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.241 -0.912 . . . . 0.0 110.412 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' SER . 9.3 t -131.9 168.08 18.49 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.397 -0.815 . . . . 0.0 109.767 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.99 155.91 77.26 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.384 -0.822 . . . . 0.0 109.085 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.93 160.72 46.97 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.631 2.221 . . . . 0.0 112.11 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.5 -18.4 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.403 -0.81 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.49 -44.6 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.268 -0.895 . . . . 0.0 108.93 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.61 -44.58 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.33 -0.856 . . . . 0.0 108.901 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.23 -40.32 97.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.84 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.42 -41.18 88.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.876 . . . . 0.0 109.039 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.34 -43.15 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.366 -0.834 . . . . 0.0 109.035 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.54 74.73 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.218 -0.926 . . . . 0.0 109.162 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 17.6 t80 -61.11 -49.81 75.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' B' ' 51' ' ' LEU . 3.3 mm? -66.49 -39.82 88.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 109.081 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.529 HH22 HH22 ' A' ' 52' ' ' ARG . 40.0 ttt180 -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.344 -0.848 . . . . 0.0 108.989 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -57.21 -20.2 25.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.482 -0.761 . . . . 0.0 109.65 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 59.2 mttp -90.34 8.45 33.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 109.236 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.85 19.67 65.02 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 58' ' ' LEU . 79.3 t -69.4 134.45 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.051 -1.264 . . . . 0.0 109.681 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 70.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.581 -0.699 . . . . 0.0 110.428 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' B' ' 56' ' ' VAL . 49.9 tp -63.62 -42.6 98.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.081 -1.012 . . . . 0.0 109.78 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.815 HD22 ' H ' ' B' ' 59' ' ' ASN . 0.4 OUTLIER -59.56 -41.99 91.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.156 -0.965 . . . . 0.0 109.792 -179.077 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.017 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -46.97 86.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.425 -0.797 . . . . 0.0 109.545 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.35 -33.64 71.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.146 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.08 -41.13 91.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.147 -0.971 . . . . 0.0 109.761 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -64.64 -37.35 87.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.404 -0.81 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.58 0 O-C-N 120.848 -1.158 . . . . 0.0 109.976 -178.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 5' ' ' ASN . 3.9 pt-20 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.46 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 9.0 tp -41.54 -36.8 0.97 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.531 -0.73 . . . . 0.0 109.722 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.7 m -79.35 -32.68 43.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.965 -1.085 . . . . 0.0 109.884 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.606 ' O ' HG23 ' A' ' 9' ' ' VAL . 12.1 t-20 -63.62 -47.15 82.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.131 -0.98 . . . . 0.0 109.998 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -44.92 77.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.278 -0.888 . . . . 0.0 108.855 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.68 -45.58 86.03 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.923 . . . . 0.0 110.192 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.55 -36.41 83.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 109.923 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 5' ' ' ASN . 23.3 t -61.63 -43.07 96.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.34 -0.85 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.23 -36.53 82.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.772 -1.205 . . . . 0.0 109.15 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.64 -42.43 99.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.082 -1.011 . . . . 0.0 109.625 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.83 -51.77 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.164 -0.96 . . . . 0.0 109.898 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.501 ' NH2' ' CG1' ' A' ' 9' ' ' VAL . 25.3 mtm-85 -67.36 -38.49 84.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.373 -0.829 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.29 -2.34 52.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.213 -0.93 . . . . 0.0 108.611 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.461 ' C ' HD12 ' A' ' 16' ' ' LEU . 36.1 t 53.6 73.5 0.37 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.543 -0.723 . . . . 0.0 110.064 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.531 HD11 ' NZ ' ' B' ' 54' ' ' LYS . 8.3 mp -114.63 143.39 45.09 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.63 -0.669 . . . . 0.0 109.693 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.8 p -119.28 153.06 35.64 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.39 93.67 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.51 -0.744 . . . . 0.0 109.425 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -66.3 -47.11 74.66 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.389 -0.819 . . . . 0.0 110.289 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.242 -0.911 . . . . 0.0 110.195 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.52 -44.79 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.279 -0.888 . . . . 0.0 109.734 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.29 74.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 0.0 110.178 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.82 -35.16 76.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.308 -0.87 . . . . 0.0 109.598 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.9 -51.82 17.09 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.239 -0.913 . . . . 0.0 109.817 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mtp -65.94 -39.6 90.63 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.279 -0.888 . . . . 0.0 109.607 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.89 33.49 5.24 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -125.94 161.23 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.388 -1.066 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -75.16 158.8 32.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.388 -0.82 . . . . 0.0 110.286 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 29' ' ' ARG . 31.0 mtp-105 -63.63 -37.07 85.95 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.47 -0.769 . . . . 0.0 109.332 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.27 -41.19 79.24 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.142 -0.974 . . . . 0.0 109.286 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.38 -38.98 91.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.865 . . . . 0.0 109.237 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.08 -42.65 99.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.477 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.0 -36.45 84.03 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.45 -0.781 . . . . 0.0 109.704 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.29 -35.68 81.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.298 -0.876 . . . . 0.0 109.233 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.76 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.199 -0.938 . . . . 0.0 109.118 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -62.99 -35.33 79.84 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.078 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.15 39.11 1.25 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.894 . . . . 0.0 108.892 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' THR . 77.9 p -70.01 -13.02 62.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 108.988 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 54.16 -85.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.376 -0.827 . . . . 0.0 110.291 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' SER . 10.3 t -96.27 158.52 15.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.069 -1.02 . . . . 0.0 109.85 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 127.44 34.75 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.303 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -47.89 145.68 9.76 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.101 1.868 . . . . 0.0 113.542 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.95 -30.22 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 109.243 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.32 -32.67 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.238 -0.914 . . . . 0.0 109.66 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -62.26 -47.43 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.133 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.94 -35.58 81.6 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.343 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.15 -41.77 72.23 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.193 -1.039 . . . . 0.0 108.193 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.43 -43.73 98.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.531 -0.73 . . . . 0.0 109.034 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.31 80.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 0.0 109.467 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 78.2 t80 -60.03 -44.34 94.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.425 -0.797 . . . . 0.0 109.612 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.25 -41.26 98.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.393 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -62.29 -32.24 72.93 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.236 -0.915 . . . . 0.0 109.151 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -57.84 -21.77 44.32 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.131 -0.981 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 14.8 mptt -97.14 2.41 51.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.898 . . . . 0.0 108.629 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.75 49.48 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.44 136.9 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.344 . . . . 0.0 109.742 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.7 88.34 2.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.654 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.2 tp -80.03 -27.66 39.45 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.484 -0.76 . . . . 0.0 109.561 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.711 HD21 HH22 ' B' ' 52' ' ' ARG . 8.2 m-80 -61.79 -41.87 98.28 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.395 -0.816 . . . . 0.0 109.908 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.8 94.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.984 -1.073 . . . . 0.0 109.074 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.07 -46.26 81.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.287 -0.883 . . . . 0.0 109.782 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.8 -37.59 79.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.6 -0.688 . . . . 0.0 109.569 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 70.5 m-20 -59.94 -45.99 90.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.212 -0.93 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -67.06 -44.18 80.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.175 -0.953 . . . . 0.0 109.583 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.4 mt . . . . . 0 C--N 1.304 -1.385 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.169 0.509 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -45.49 -43.26 11.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.541 -0.724 . . . . 0.0 109.838 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -62.91 -37.1 85.61 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 110.058 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.75 -39.43 94.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 110.043 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.69 -43.87 71.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.535 0.683 . . . . 0.0 109.266 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.91 -41.0 99.29 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.905 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -40.14 94.18 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.458 -0.776 . . . . 0.0 109.985 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.96 -44.18 97.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.141 -0.974 . . . . 0.0 109.212 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.87 -50.35 70.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.46 ' NH1' ' CD ' ' B' ' 36' ' ' GLU . 10.6 ttt180 -65.76 -43.03 90.13 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.425 -0.797 . . . . 0.0 110.219 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.43 -42.9 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.299 -0.876 . . . . 0.0 109.68 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 13' ' ' ARG . 0.6 OUTLIER -57.51 -44.62 85.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.424 -0.798 . . . . 0.0 109.127 -179.06 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.23 -5.88 59.3 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t 47.65 70.58 0.41 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -110.52 135.3 51.4 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.423 -0.798 . . . . 0.0 109.65 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.9 p -76.63 150.16 36.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.316 -0.865 . . . . 0.0 110.254 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.69 86.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.503 -0.748 . . . . 0.0 109.926 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -64.2 -43.5 94.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.042 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -59.53 -45.1 92.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.2 -0.937 . . . . 0.0 109.78 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.65 -43.31 86.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.711 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.84 88.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.453 -0.779 . . . . 0.0 110.63 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -66.05 -37.5 85.98 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.88 -44.82 65.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 76.8 mmm -65.09 -38.95 92.38 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.341 -0.849 . . . . 0.0 109.612 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.98 16.53 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.67 163.39 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.446 -1.032 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 97.3 p -76.13 165.64 24.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.517 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -63.09 -35.68 81.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -57.16 -44.37 83.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.414 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.13 -44.72 83.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.375 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -64.24 -42.48 96.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.442 -0.786 . . . . 0.0 109.626 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.9 m -63.44 -36.05 82.46 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.55 -0.719 . . . . 0.0 109.588 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -62.39 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.59 -43.9 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' B' ' 11' ' ' ARG . 81.2 mt-10 -68.94 -12.81 61.99 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -108.47 -7.87 15.69 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -58.65 144.5 43.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.235 -0.916 . . . . 0.0 110.357 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -118.76 -40.75 2.84 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 53.7 m -111.65 126.82 55.43 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.564 -0.71 . . . . 0.0 109.705 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.83 151.81 39.27 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.502 -0.748 . . . . 0.0 109.401 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.4 153.65 77.26 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.368 2.045 . . . . 0.0 112.875 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 46' ' ' LYS . 14.5 p -63.72 -31.59 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.458 -0.776 . . . . 0.0 109.994 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.466 HG23 ' N ' ' B' ' 45' ' ' VAL . 7.1 m -41.05 -38.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.644 -0.66 . . . . 0.0 109.866 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.466 ' N ' HG23 ' B' ' 44' ' ' VAL . 75.6 t -64.42 -45.02 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.213 -0.929 . . . . 0.0 109.172 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' B' ' 43' ' ' VAL . 99.5 mttt -63.99 -39.43 94.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.301 -0.874 . . . . 0.0 109.403 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -60.12 -41.54 92.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.451 -0.78 . . . . 0.0 109.347 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.86 -42.94 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.34 69.21 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.59 -51.9 66.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.35 -38.41 84.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.354 -0.841 . . . . 0.0 108.866 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.711 HH22 HD21 ' A' ' 59' ' ' ASN . 31.2 ttt180 -59.68 -37.14 77.99 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.414 -0.804 . . . . 0.0 109.135 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -54.91 -35.81 64.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.432 -0.792 . . . . 0.0 109.378 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.531 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 98.3 mttt -84.38 11.83 7.81 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 109.322 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.28 29.17 70.47 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.16 132.65 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.722 -1.458 . . . . 0.0 109.561 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.5 73.16 5.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.262 -0.899 . . . . 0.0 109.171 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.749 HD12 HD12 ' B' ' 61' ' ' LEU . 7.6 tp -88.07 -9.01 54.67 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -64.95 -42.73 94.36 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.65 90.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.622 -0.674 . . . . 0.0 109.981 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.749 HD12 HD12 ' B' ' 58' ' ' LEU . 84.5 mt -62.43 -42.91 99.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.317 -0.864 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.281 -0.887 . . . . 0.0 109.431 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.25 -34.25 72.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.06 -1.025 . . . . 0.0 108.854 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -61.84 -42.39 98.98 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mm . . . . . 0 C--N 1.305 -1.347 0 O-C-N 121.618 -0.677 . . . . 0.0 109.762 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.347 0.594 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.07 -44.34 96.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -61.75 -43.57 98.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.882 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.98 -48.65 77.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.0 110.279 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.604 ' OE1' HD13 ' B' ' 61' ' ' LEU . 1.6 tt0 -71.11 -38.12 72.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 110.08 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.29 -43.39 92.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.204 -0.935 . . . . 0.0 108.798 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.86 -40.5 95.57 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.43 -0.794 . . . . 0.0 108.952 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.07 -46.76 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.0 109.882 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 3.3 mp0 -55.33 -42.73 74.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.226 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -59.46 -46.1 89.74 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.234 -0.916 . . . . 0.0 109.183 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -75.59 -26.71 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.629 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -62.99 -42.35 99.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' OG ' ' A' ' 15' ' ' SER . 84.2 mt -86.84 -1.6 57.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 15' ' ' SER . 6.1 p 65.65 67.73 0.49 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.39 -0.819 . . . . 0.0 110.142 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -116.45 134.52 54.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 p -84.35 156.17 22.0 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.53 65.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.712 -0.618 . . . . 0.0 109.823 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -64.2 -44.27 92.48 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.444 -0.785 . . . . 0.0 110.002 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.478 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 77.8 p -61.85 -46.49 89.24 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 109.638 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.4 t -68.54 -45.14 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.373 -0.83 . . . . 0.0 110.205 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.09 99.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.847 . . . . 0.0 110.533 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -46.44 69.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 110.048 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -68.42 -37.45 80.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.282 -0.886 . . . . 0.0 109.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 70.4 mmm -62.99 -36.72 84.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.95 20.45 16.35 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.41 161.49 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.725 -0.868 . . . . 0.0 109.681 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -69.68 154.81 41.45 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.747 0.784 . . . . 0.0 110.455 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -61.83 -35.82 79.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.346 -0.846 . . . . 0.0 109.3 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.94 -42.14 97.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.302 -0.874 . . . . 0.0 109.096 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.27 -40.32 97.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.263 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -59.73 -36.8 77.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.373 -0.83 . . . . 0.0 109.492 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -61.41 -40.4 94.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.267 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -63.15 -42.92 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.19 -40.5 64.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.41 -0.806 . . . . 0.0 108.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -103.21 38.6 1.73 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.559 -0.713 . . . . 0.0 109.142 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 p -63.36 158.85 19.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.319 -0.863 . . . . 0.0 110.127 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.462 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -108.44 124.17 49.99 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.649 0.738 . . . . 0.0 109.455 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 39' ' ' GLU . 34.0 p 49.0 176.15 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.538 0.685 . . . . 0.0 110.722 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.98 131.28 23.53 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.465 -0.772 . . . . 0.0 109.262 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HG2' HG11 ' B' ' 44' ' ' VAL . 52.0 Cg_exo -48.19 144.27 13.03 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.006 1.804 . . . . 0.0 113.571 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.25 -30.44 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.636 -0.665 . . . . 0.0 109.526 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.25 -33.29 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.207 -0.933 . . . . 0.0 109.384 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.38 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.893 . . . . 0.0 109.253 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.82 -37.04 82.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 108.984 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.59 -40.03 78.11 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.67 -43.2 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.242 -0.911 . . . . 0.0 108.729 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.1 72.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.469 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.61 -47.77 83.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.297 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.6 mm? -64.04 -41.15 97.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.813 . . . . 0.0 109.26 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HE ' HD21 ' A' ' 58' ' ' LEU . 34.5 ttm180 -61.72 -41.35 97.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.293 -0.88 . . . . 0.0 108.939 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 t -56.24 -19.75 15.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.13 4.72 53.34 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.151 -0.968 . . . . 0.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 22.54 59.34 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 51' ' ' LEU . 96.1 t -67.68 132.81 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.462 -1.022 . . . . 0.0 109.436 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -78.32 76.14 4.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.598 -0.689 . . . . 0.0 110.094 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 ' HE ' ' A' ' 52' ' ' ARG . 2.3 pp -90.54 -18.63 24.92 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.8 p-10 -61.24 -42.66 99.0 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.14 77.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.486 -0.759 . . . . 0.0 109.304 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.1 tt -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.456 -0.778 . . . . 0.0 109.315 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -70.48 -34.47 72.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.271 -0.893 . . . . 0.0 109.718 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -59.81 -35.03 73.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.403 -0.811 . . . . 0.0 110.03 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -70.0 -38.21 75.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.971 -1.081 . . . . 0.0 109.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.337 -0.852 . . . . 0.0 110.898 -179.046 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.457 0.646 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.6 mp -63.01 -43.97 97.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 0.0 109.362 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t -59.41 -34.09 72.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.578 -0.701 . . . . 0.0 109.636 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . 0.625 ' O ' HG23 ' B' ' 9' ' ' VAL . 37.8 t30 -60.24 -36.75 78.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.384 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -77.6 -31.2 52.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.769 -1.207 . . . . 0.0 110.313 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.61 -45.16 95.05 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.018 -1.051 . . . . 0.0 109.99 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -72.96 -38.49 66.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 5' ' ' ASN . 72.4 t -60.79 -51.2 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.349 -0.845 . . . . 0.0 109.997 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.689 -1.257 . . . . 0.0 109.04 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -62.14 -50.0 73.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.373 -0.83 . . . . 0.0 109.083 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.06 -43.68 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.836 -0.54 . . . . 0.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -61.77 -40.55 95.59 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.11 -0.994 . . . . 0.0 109.579 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.3 mt -85.84 -4.93 59.29 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.6 m 38.48 47.19 1.05 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.292 0.568 . . . . 0.0 110.136 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' B' ' 11' ' ' ARG . 2.4 pp -85.0 162.85 19.21 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 109.606 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -90.69 123.96 34.71 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.298 -0.876 . . . . 0.0 110.292 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.71 78.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.616 -0.678 . . . . 0.0 109.68 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.635 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 23.7 mtpp -60.04 -44.73 94.45 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.6 m -62.16 -41.2 98.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.376 -0.827 . . . . 0.0 109.655 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.424 HG12 ' SD ' ' B' ' 25' ' ' MET . 77.5 t -60.98 -48.54 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.889 . . . . 0.0 110.015 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.17 72.06 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.296 -0.878 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -69.74 -55.09 10.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 110.575 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.02 -38.02 78.99 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.135 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.424 ' SD ' HG12 ' B' ' 21' ' ' VAL . 74.2 mtp -63.58 -38.88 92.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.968 -1.083 . . . . 0.0 109.476 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.97 25.84 13.82 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -123.73 161.0 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.546 -0.973 . . . . 0.0 109.544 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 p -75.08 160.0 31.02 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.814 0.816 . . . . 0.0 110.374 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.635 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 6.6 mtm180 -64.49 -34.14 77.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -52.85 -46.44 67.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -0.869 . . . . 0.0 109.138 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.49 -40.91 76.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.61 -45.34 93.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.12 -34.58 77.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.374 -0.829 . . . . 0.0 109.331 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.83 -39.98 91.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.442 -0.786 . . . . 0.0 108.899 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.0 -42.86 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.442 -0.786 . . . . 0.0 109.387 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -58.09 -43.66 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.919 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 16.0 pt20 -96.32 34.92 1.53 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.194 -0.941 . . . . 0.0 109.141 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -70.39 134.0 47.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 110.015 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.15 -70.99 0.66 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.549 -0.719 . . . . 0.0 109.402 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 5.2 t -104.97 131.34 52.61 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.523 -0.736 . . . . 0.0 109.271 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.82 150.25 47.63 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.454 -0.779 . . . . 0.0 109.611 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.501 ' HB2' HG12 ' B' ' 44' ' ' VAL . 38.6 Cg_endo -67.64 155.49 69.9 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.668 2.245 . . . . 0.0 112.927 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.48 -30.08 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.619 -0.675 . . . . 0.0 110.333 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.6 HG11 ' HG2' ' A' ' 42' ' ' PRO . 12.0 p -47.42 -35.13 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 109.319 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.4 ' N ' HG13 ' B' ' 44' ' ' VAL . 86.6 t -65.72 -47.03 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 108.806 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -64.2 -36.79 85.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.022 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -57.82 -41.78 82.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -42.91 97.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.36 77.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.523 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 16.9 t80 -59.78 -48.14 82.87 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.66 -38.06 86.06 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -54.89 -42.35 72.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.396 -0.815 . . . . 0.0 108.996 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 93.3 p -58.12 -30.48 66.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.511 -0.743 . . . . 0.0 109.538 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.523 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 58.7 mttp -85.02 -3.72 58.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.223 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.91 29.66 58.75 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 120.005 -1.093 . . . . 0.0 110.936 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.421 ' HB ' HD23 ' B' ' 58' ' ' LEU . 58.4 t -63.66 140.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.929 -1.336 . . . . 0.0 109.222 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.61 54.13 0.06 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.707 -0.621 . . . . 0.0 111.952 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.421 HD23 ' HB ' ' B' ' 56' ' ' VAL . 4.0 mm? -65.69 -39.08 90.91 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.967 -1.083 . . . . 0.0 109.314 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.437 HD22 ' H ' ' B' ' 59' ' ' ASN . 2.6 p30 -52.93 -44.91 67.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.38 79.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.713 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.604 HD13 ' OE1' ' A' ' 6' ' ' GLU . 53.6 tp -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.224 -0.922 . . . . 0.0 109.549 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.418 ' HB2' HH12 ' A' ' 52' ' ' ARG . 18.1 m-85 -68.36 -45.09 73.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.665 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -53.92 -30.73 47.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 109.628 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.07 -20.74 55.41 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' B' ' 62' ' ' PHE . 96.7 mt . . . . . 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.643 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HG2' ' H ' ' A' ' 5' ' ' ASN . 2.3 pt-20 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.24 0.543 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.2 -44.0 96.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t -66.32 -28.25 68.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.296 -0.877 . . . . 0.0 110.493 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.469 ' H ' ' HG2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -62.88 -48.07 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 0.0 110.215 -179.097 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.43 -31.34 71.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.59 -37.81 85.25 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -71.41 -34.26 70.17 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.055 -1.028 . . . . 0.0 110.008 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.01 -49.07 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.235 -0.916 . . . . 0.0 110.517 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.53 -38.97 85.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.243 -0.911 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 23.6 tpt85 -58.86 -48.02 82.85 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.83 -41.97 88.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.649 -0.657 . . . . 0.0 109.474 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HG3' HH11 ' A' ' 13' ' ' ARG . 1.1 tpt85 -52.5 -44.89 65.95 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.416 -0.802 . . . . 0.0 109.836 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.4 -1.88 58.23 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 108.609 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.4 p 43.02 51.41 5.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.67 -0.643 . . . . 0.0 109.39 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 64.5 mt -80.83 174.1 11.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.47 -0.769 . . . . 0.0 110.216 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -109.17 123.21 48.85 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.617 0.723 . . . . 0.0 109.799 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.7 86.97 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.537 -0.727 . . . . 0.0 109.179 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.97 -42.8 99.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.556 -0.715 . . . . 0.0 109.557 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 t -60.83 -43.88 97.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.321 -0.862 . . . . 0.0 109.686 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.442 HG22 ' CZ ' ' B' ' 50' ' ' PHE . 96.3 t -60.26 -43.4 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 0.0 109.351 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.3 73.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -65.32 -42.89 92.49 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.122 -0.987 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.77 -44.3 61.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 109.423 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 72.3 mmm -64.7 -38.93 92.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.739 -0.6 . . . . 0.0 109.551 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.76 19.7 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -123.69 165.74 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 121.525 -0.985 . . . . 0.0 109.968 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.0 m -67.24 150.94 48.39 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.528 -0.732 . . . . 0.0 110.386 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -61.4 -41.01 96.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.67 -39.68 81.35 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.301 -0.874 . . . . 0.0 109.236 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.79 -45.95 88.7 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.336 -0.853 . . . . 0.0 108.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.86 -41.54 97.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.316 -0.865 . . . . 0.0 109.161 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.01 -33.06 73.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.578 -0.701 . . . . 0.0 109.367 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 38' ' ' SER . 27.9 t-20 -62.23 -38.15 88.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.407 -0.808 . . . . 0.0 109.048 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -43.93 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.432 -0.793 . . . . 0.0 109.052 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.09 -31.74 73.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.374 -0.828 . . . . 0.0 109.402 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -100.12 1.46 42.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.855 . . . . 0.0 109.196 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' ASN . 26.4 t -67.11 150.69 48.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.775 . . . . 0.0 110.472 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 36.8 tt0 -60.34 -127.62 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.414 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -83.01 169.59 15.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.474 -0.766 . . . . 0.0 110.37 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.1 152.02 95.88 Favored Pre-proline 0 C--N 1.302 -1.462 0 O-C-N 121.408 -0.808 . . . . 0.0 109.721 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.43 156.68 65.16 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.809 2.339 . . . . 0.0 112.655 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 43' ' ' VAL . 3.3 m -64.53 -33.48 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.434 -0.791 . . . . 0.0 110.085 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -49.03 -36.69 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.234 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.45 -44.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.0 108.938 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.57 -36.55 84.16 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.323 -0.86 . . . . 0.0 109.034 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.4 ' OH ' ' NE ' ' B' ' 11' ' ' ARG . 8.7 t80 -58.22 -42.51 86.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.419 HG23 HD22 ' A' ' 58' ' ' LEU . 96.3 mt -62.54 -43.11 98.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.41 74.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.273 -0.892 . . . . 0.0 109.357 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -61.06 -50.18 74.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.161 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -67.39 -41.44 84.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.324 -0.86 . . . . 0.0 109.72 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -64.5 -42.38 95.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.2 m -58.6 -20.4 46.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.455 -0.778 . . . . 0.0 109.685 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HZ1' HD13 ' B' ' 16' ' ' LEU . 98.9 mttt -89.52 10.68 21.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.114 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.486 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 79.66 19.26 71.29 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' LEU . 82.6 t -69.63 -43.3 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.077 -1.249 . . . . 0.0 109.593 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 55' ' ' GLY . 2.0 m-20 60.75 97.71 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 121.572 0.701 . . . . 0.0 109.948 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 58' ' ' LEU . 2.2 mp -90.92 -2.22 57.75 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -55.52 -39.61 70.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.29 67.96 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.616 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.95 -42.94 99.69 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 110.137 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.83 -36.23 83.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.47 -0.769 . . . . 0.0 109.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.71 -31.55 71.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -58.83 -49.7 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.177 -0.952 . . . . 0.0 109.386 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.603 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 5' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.194 0.521 . . . . 0.0 110.477 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' B' ' 2' ' ' GLU . 20.1 mt -40.8 -40.41 1.34 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.991 -1.068 . . . . 0.0 109.595 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.9 m -61.61 -38.49 87.82 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.308 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 2' ' ' GLU . 13.1 t30 -60.09 -46.56 89.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.159 -0.963 . . . . 0.0 110.144 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' B' ' 10' ' ' GLU . 96.5 mt-10 -53.71 -54.01 44.01 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.09 -1.006 . . . . 0.0 109.642 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.8 mp -62.46 -38.74 90.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.403 -0.811 . . . . 0.0 109.841 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.447 ' HZ2' HD11 ' B' ' 12' ' ' ILE . 3.5 tmtt? -63.92 -39.89 95.22 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.121 -0.987 . . . . 0.0 109.174 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' B' ' 10' ' ' GLU . 41.4 t -56.49 -67.47 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.099 -1.001 . . . . 0.0 109.312 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -40.5 -44.37 2.04 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.79 -0.569 . . . . 0.0 109.974 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' SER . 7.1 tpp85 -54.8 -44.95 74.25 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.188 -0.945 . . . . 0.0 108.664 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.447 HD11 ' HZ2' ' B' ' 8' ' ' LYS . 97.0 mt -65.72 -43.33 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.653 -0.654 . . . . 0.0 109.568 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -59.24 -46.06 89.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.346 -0.846 . . . . 0.0 110.449 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.2 mt -95.81 -0.54 51.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.094 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' ARG . 34.8 t 38.41 60.29 1.33 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 109.826 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.501 HD13 ' HZ1' ' A' ' 54' ' ' LYS . 60.1 mt -85.46 156.88 20.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.55 -0.719 . . . . 0.0 109.89 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -101.37 135.16 43.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.433 -0.792 . . . . 0.0 110.147 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.02 78.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.554 -0.716 . . . . 0.0 109.553 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.13 -42.81 99.61 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.386 -0.821 . . . . 0.0 109.882 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' ' OE1' ' B' ' 24' ' ' GLU . 11.7 t -61.73 -46.13 90.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.196 -0.94 . . . . 0.0 109.987 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.74 -45.83 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.195 -0.94 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.05 70.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.393 -0.817 . . . . 0.0 109.285 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -69.24 -34.94 75.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.318 -0.864 . . . . 0.0 109.49 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' B' ' 20' ' ' SER . 4.9 mp0 -68.31 -67.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.336 -0.853 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.1 mtm -65.44 -39.5 92.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.991 . . . . 0.0 109.66 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 48.75 3.11 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -120.8 161.56 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.509 -0.994 . . . . 0.0 109.687 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -67.14 150.17 49.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.676 0.751 . . . . 0.0 110.376 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -62.4 -34.7 77.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.245 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.01 -43.02 77.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.5 -48.92 73.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.283 -0.886 . . . . 0.0 109.618 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.72 -43.48 96.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.0 109.924 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.2 -33.23 74.16 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.382 -0.824 . . . . 0.0 109.524 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' B' ' 38' ' ' SER . 41.0 t-20 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.35 -42.93 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 0.0 109.179 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.05 -34.76 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -113.45 17.12 18.64 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.4 -0.813 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 34' ' ' ASN . 3.6 m -67.14 148.02 52.36 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.221 -0.925 . . . . 0.0 109.844 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 40' ' ' THR . 29.6 mp0 -89.8 108.02 19.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.507 -0.746 . . . . 0.0 109.574 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.567 HG22 ' N ' ' B' ' 41' ' ' ALA . 64.0 m 55.38 163.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.502 0.668 . . . . 0.0 110.61 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.567 ' N ' HG22 ' B' ' 40' ' ' THR . . . -85.94 153.33 57.39 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.553 -0.717 . . . . 0.0 109.774 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.3 161.31 46.39 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.905 2.404 . . . . 0.0 112.991 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.407 ' H ' HG22 ' B' ' 43' ' ' VAL . 14.3 m -57.74 -18.25 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.493 -0.754 . . . . 0.0 109.684 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.07 -44.88 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.131 -0.98 . . . . 0.0 109.254 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.41 -46.81 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.296 -0.877 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.65 -38.06 89.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.483 -0.76 . . . . 0.0 109.395 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -57.65 -41.04 80.67 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.99 -44.02 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -34.12 68.95 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.442 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 2.8 t80 -61.78 -48.04 82.43 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 108.68 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.92 -42.35 97.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -0.774 . . . . 0.0 109.561 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -64.29 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.343 -0.848 . . . . 0.0 109.216 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -59.05 -17.79 28.9 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.493 -0.754 . . . . 0.0 109.528 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -97.38 2.92 51.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -0.844 . . . . 0.0 108.837 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.07 23.72 63.07 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.698 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.25 -18.91 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.07 -1.253 . . . . 0.0 109.155 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' B' ' 59' ' ' ASN . 80.4 m-20 59.25 51.46 6.84 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.54 HD11 HD22 ' B' ' 61' ' ' LEU . 13.1 tp -61.29 -0.8 0.4 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.576 -0.703 . . . . 0.0 109.484 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' B' ' 57' ' ' ASP . 3.4 m120 -62.0 -40.98 97.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.375 -0.828 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.78 87.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.0 110.213 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.54 HD22 HD11 ' B' ' 58' ' ' LEU . 7.2 tp -61.98 -46.51 88.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.922 . . . . 0.0 109.702 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.06 -45.97 86.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.224 -0.922 . . . . 0.0 109.336 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.82 -33.15 73.63 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -50.63 71.62 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.109 -0.994 . . . . 0.0 108.617 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.237 -0.914 . . . . 0.0 109.508 179.593 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.383 0.611 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.13 -45.24 94.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.388 -0.82 . . . . 0.0 109.739 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 t -65.14 -33.9 77.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.471 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.4 OUTLIER -59.35 -46.94 87.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.092 -1.005 . . . . 0.0 109.514 -179.144 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.7 -31.64 68.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.069 -1.019 . . . . 0.0 108.962 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.52 -43.45 98.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -62.69 -39.54 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.32 -43.45 93.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.16 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.75 -50.69 67.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.995 -1.066 . . . . 0.0 109.294 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.4 ttp180 -61.56 -41.82 97.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 109.041 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.45 -44.07 98.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.947 -1.096 . . . . 0.0 109.466 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.44 -44.68 96.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.17 -0.956 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.7 mt -92.28 -0.58 57.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.117 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' ARG . 4.5 p 40.7 46.76 2.31 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.677 -0.64 . . . . 0.0 109.327 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 tp -79.97 157.0 26.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.438 -0.789 . . . . 0.0 110.025 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -101.9 137.52 40.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.449 -0.782 . . . . 0.0 110.343 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.51 87.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.595 -0.691 . . . . 0.0 109.797 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.64 -43.62 98.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 109.722 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -60.61 -45.41 94.13 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.163 -0.96 . . . . 0.0 109.886 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.419 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 73.7 t -66.35 -43.83 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 110.215 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.62 72.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 110.533 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.41 -46.4 66.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.041 -1.037 . . . . 0.0 110.701 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.36 -48.66 80.81 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.168 -0.958 . . . . 0.0 109.697 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.419 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 81.0 mtp -62.78 -38.61 91.31 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.078 -1.013 . . . . 0.0 109.985 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.37 19.14 9.06 Favored Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 pt -123.83 162.97 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.723 -0.869 . . . . 0.0 109.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 165.46 22.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.642 0.734 . . . . 0.0 110.427 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -63.19 -35.57 80.74 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.72 -42.38 97.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.459 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.91 -42.33 94.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.586 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.56 -41.08 98.44 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 109.242 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.53 -33.11 72.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.488 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.78 -42.08 96.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.24 -0.913 . . . . 0.0 108.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.33 -44.43 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 109.093 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' NH2' ' A' ' 11' ' ' ARG . 35.3 tt0 -58.8 -22.49 58.5 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -90.95 15.26 11.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -60.0 141.6 55.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.522 -0.737 . . . . 0.0 109.847 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -125.9 -60.25 1.3 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.0 m -116.41 127.48 54.66 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.37 151.42 46.31 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 121.075 -1.016 . . . . 0.0 111.57 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.89 151.72 62.85 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.946 2.431 . . . . 0.0 112.852 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' B' ' 35' ' ' ILE . 4.1 m -63.32 -10.3 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.509 -0.744 . . . . 0.0 109.636 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.46 -43.69 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.14 -45.44 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.315 -0.866 . . . . 0.0 109.609 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' B' ' 65' ' ' ILE . 67.7 mttm -62.65 -40.46 97.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.754 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.12 -39.55 82.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 0.0 108.913 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.14 -43.17 97.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.95 74.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.37 -0.831 . . . . 0.0 109.053 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.26 -49.33 78.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.253 -0.904 . . . . 0.0 108.945 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.28 -39.61 68.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.457 -0.777 . . . . 0.0 109.9 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.41 -41.79 90.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 m -58.61 -22.27 55.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.441 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.46 3.33 55.22 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.278 -0.889 . . . . 0.0 109.312 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 20.86 59.41 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 132.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.984 -1.304 . . . . 0.0 109.03 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.4 m-20 -71.38 105.11 3.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.491 -0.756 . . . . 0.0 110.762 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 pp -90.5 -17.08 27.7 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.529 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 1.7 p30 -63.05 -41.29 99.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.539 0.685 . . . . 0.0 109.226 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.3 79.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.328 -0.858 . . . . 0.0 109.782 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 61' ' ' LEU . 11.0 mp -62.14 -40.97 97.73 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.487 -0.758 . . . . 0.0 109.637 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.16 -41.1 70.83 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.044 -1.035 . . . . 0.0 109.764 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -52.43 -40.92 62.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.08 -1.012 . . . . 0.0 108.98 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.522 HH11 ' CD ' ' B' ' 6' ' ' GLU . 0.2 OUTLIER -68.63 -37.46 79.75 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.115 -0.991 . . . . 0.0 108.605 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG22 ' NZ ' ' B' ' 46' ' ' LYS . 96.9 mt . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.322 -0.861 . . . . 0.0 110.314 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.556 0.693 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.38 -44.33 96.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.469 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 36' ' ' GLU . 5.1 t -67.53 -33.16 74.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.29 -0.881 . . . . 0.0 109.95 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.95 -47.25 86.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.522 ' CD ' HH11 ' A' ' 64' ' ' ARG . 44.3 mt-10 -73.85 -34.75 64.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.128 -0.982 . . . . 0.0 109.958 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.49 -45.72 93.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.981 . . . . 0.0 109.452 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.99 -43.17 93.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.677 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.0 109.899 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.55 -34.21 70.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.136 -0.978 . . . . 0.0 108.485 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -60.85 -45.34 94.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 108.453 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.07 -43.12 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.476 -0.765 . . . . 0.0 109.717 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -59.49 -41.03 88.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.0 109.374 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.41 0.2 57.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.317 -0.865 . . . . 0.0 108.977 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p 43.77 64.48 1.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 109.812 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -112.08 147.84 35.18 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.236 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.429 ' OG1' ' OG ' ' B' ' 20' ' ' SER . 14.4 p -100.12 140.16 34.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.493 -0.754 . . . . 0.0 109.876 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.82 91.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.445 -0.784 . . . . 0.0 109.645 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.308 -0.87 . . . . 0.0 109.835 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.429 ' OG ' ' OG1' ' B' ' 17' ' ' THR . 58.2 m -59.95 -45.21 93.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 110.219 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.2 -46.67 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.06 -1.025 . . . . 0.0 109.798 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.78 82.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.272 -0.893 . . . . 0.0 109.911 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -63.77 -54.21 38.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.262 -0.899 . . . . 0.0 110.287 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.83 -40.64 91.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.186 -0.946 . . . . 0.0 109.03 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 62.7 mmm -62.98 -38.91 93.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.586 -0.696 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.9 8.06 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.65 162.66 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.55 -0.971 . . . . 0.0 109.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -65.44 148.2 52.12 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.658 0.742 . . . . 0.0 110.303 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -61.44 -40.8 95.8 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.09 -37.69 86.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.78 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.418 ' NE2' HG11 ' A' ' 43' ' ' VAL . 59.1 tt0 -61.37 -41.56 97.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.032 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 35' ' ' ILE . 55.4 tp -64.29 -39.84 94.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.262 -0.899 . . . . 0.0 109.024 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -58.86 -33.2 70.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.409 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -62.93 -39.71 95.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.902 -1.124 . . . . 0.0 109.029 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.588 HD12 HD12 ' B' ' 32' ' ' LEU . 96.6 mt -62.1 -45.33 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.871 . . . . 0.0 110.836 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.402 ' O ' ' OG ' ' B' ' 4' ' ' SER . 14.5 pt-20 -81.55 -12.41 58.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 109.874 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -104.18 18.71 21.53 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -66.07 158.37 28.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.499 -0.751 . . . . 0.0 109.932 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -116.14 -49.76 2.68 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.766 -0.584 . . . . 0.0 109.773 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -121.19 130.75 53.85 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 109.065 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 146.18 58.32 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.238 -0.913 . . . . 0.0 109.554 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.16 152.6 67.3 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.374 2.049 . . . . 0.0 112.607 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.413 ' H ' HG22 ' B' ' 43' ' ' VAL . 11.1 m -65.63 -31.06 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.452 -0.78 . . . . 0.0 110.192 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.436 ' H ' HG13 ' B' ' 44' ' ' VAL . 4.2 m -44.11 -36.79 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.423 -0.798 . . . . 0.0 109.846 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.415 ' N ' HG23 ' B' ' 44' ' ' VAL . 93.0 t -62.58 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.423 ' NZ ' HG22 ' A' ' 65' ' ' ILE . 67.8 mttm -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.353 -0.842 . . . . 0.0 109.154 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.86 -44.81 96.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.831 . . . . 0.0 109.311 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.43 -43.29 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.0 109.271 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.86 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.297 -0.877 . . . . 0.0 109.064 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.66 -45.37 94.37 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.16 -40.88 98.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.307 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -63.56 -36.68 84.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.327 -0.858 . . . . 0.0 109.474 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.4 m -56.8 -34.52 67.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.324 -0.86 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.23 -0.11 56.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.532 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.11 25.32 71.47 Favored Glycine 0 N--CA 1.493 2.446 0 C-N-CA 119.901 -1.142 . . . . 0.0 110.295 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 58' ' ' LEU . 40.7 t -54.58 144.86 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.082 -1.246 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.87 70.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.9 tp -89.23 -10.94 45.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 108.796 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -62.39 -42.33 99.34 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.35 88.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.669 -0.644 . . . . 0.0 110.394 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 61' ' ' LEU . 11.0 mp -61.24 -44.34 97.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.14 -0.975 . . . . 0.0 109.402 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.92 -43.15 84.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.004 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.53 -45.71 18.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.287 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -71.45 -41.66 69.16 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.226 -0.921 . . . . 0.0 110.292 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 96.9 mt . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.779 -1.201 . . . . 0.0 109.882 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.8 -41.19 99.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.898 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -60.61 -42.02 95.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.1 t30 -66.81 -49.66 65.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -59.24 -45.29 91.55 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.55 HD11 HD11 ' B' ' 51' ' ' LEU . 36.4 tp -63.04 -42.35 99.72 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.86 -36.37 83.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.498 -0.751 . . . . 0.0 109.538 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' ASN . 47.1 t -60.98 -45.91 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.201 -0.937 . . . . 0.0 109.462 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -67.25 -36.99 82.75 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.066 -1.021 . . . . 0.0 108.756 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' A' ' 36' ' ' GLU . 8.8 ttt85 -58.93 -44.36 91.35 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.37 -41.78 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -54.21 -45.54 72.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.533 -0.729 . . . . 0.0 109.412 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -95.88 -2.06 48.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.197 -0.94 . . . . 0.0 108.615 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p 44.33 79.6 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.545 -0.722 . . . . 0.0 109.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.62 157.62 17.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 p -98.36 128.5 44.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.4 -0.812 . . . . 0.0 109.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.85 85.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.95 -46.56 87.16 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.235 -0.915 . . . . 0.0 110.033 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -64.05 -45.16 90.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 0.0 109.916 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 61.3 t -63.85 -45.65 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 110.14 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.37 90.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -46.6 79.22 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.002 -1.061 . . . . 0.0 109.632 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.3 -44.05 69.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.319 -0.863 . . . . 0.0 109.641 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 76.6 mtp -65.42 -38.89 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 0.0 109.685 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.93 30.29 13.34 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -125.31 164.98 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.649 -0.912 . . . . 0.0 109.527 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -72.43 153.17 41.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.304 -0.872 . . . . 0.0 110.097 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -63.06 -36.27 83.0 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.722 HE21 HD21 ' A' ' 34' ' ' ASN . 68.2 tp60 -61.92 -39.69 92.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.276 -0.89 . . . . 0.0 108.678 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -63.65 -44.65 93.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.42 -42.44 98.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.223 -0.923 . . . . 0.0 109.073 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.91 -34.88 78.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.294 -0.879 . . . . 0.0 109.682 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.722 HD21 HE21 ' A' ' 30' ' ' GLN . 12.4 m120 -62.22 -41.28 98.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 109.797 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' B' ' 43' ' ' VAL . 61.3 mt -64.9 -44.85 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 109.797 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' A' ' 11' ' ' ARG . 40.0 tt0 -63.16 -22.88 67.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.191 -0.943 . . . . 0.0 108.992 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -93.22 -5.64 49.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.386 -0.821 . . . . 0.0 109.168 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 m -174.75 119.7 0.22 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -0.88 . . . . 0.0 109.398 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -113.22 125.48 54.37 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.479 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 49.9 p -97.48 134.79 40.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.434 -0.791 . . . . 0.0 109.225 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.51 90.44 14.63 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.408 -0.808 . . . . 0.0 109.352 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.85 163.82 30.77 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.025 1.816 . . . . 0.0 112.736 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -58.41 -20.72 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.499 -0.751 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.06 -45.24 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 109.424 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.96 -45.68 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 109.689 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -62.93 -37.17 85.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 109.431 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' OH ' ' NH1' ' B' ' 11' ' ' ARG . 16.4 t80 -55.49 -43.86 76.0 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.23 -44.55 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.458 -0.776 . . . . 0.0 109.359 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . . . -61.58 -31.36 71.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.293 -0.879 . . . . 0.0 109.174 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -60.29 -45.39 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.4 -37.68 86.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.452 -0.78 . . . . 0.0 109.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' A' ' 49' ' ' ALA . 11.2 mtm105 -59.99 -32.92 71.3 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.326 -0.859 . . . . 0.0 109.604 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -54.31 -38.49 66.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.133 -0.98 . . . . 0.0 109.243 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' CD1' ' B' ' 16' ' ' LEU . 49.2 mtmt -84.57 -0.33 52.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.193 -0.942 . . . . 0.0 109.664 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.9 26.39 45.5 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.671 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.48 133.0 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.912 -1.346 . . . . 0.0 108.634 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -79.68 89.96 5.18 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.349 -0.844 . . . . 0.0 110.27 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.753 ' H ' HD23 ' A' ' 58' ' ' LEU . 1.7 pt? -87.44 -22.22 25.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.399 -0.813 . . . . 0.0 109.319 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -40.57 90.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.84 . . . . 0.0 109.207 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.97 72.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 0.0 110.039 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' CD1' ' OE2' ' B' ' 10' ' ' GLU . 93.7 mt -64.02 -44.27 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.133 -0.98 . . . . 0.0 109.406 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.47 -46.89 74.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.807 . . . . 0.0 110.208 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.881 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -65.75 -45.16 83.61 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.391 -0.818 . . . . 0.0 111.584 -178.209 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.538 0.685 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.11 -40.93 95.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.409 -0.807 . . . . 0.0 109.86 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -57.76 -38.89 76.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 109.021 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.97 -39.86 91.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.457 -0.777 . . . . 0.0 109.341 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -58.51 -43.42 89.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.415 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.4 mp -62.72 -41.3 99.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 109.524 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -62.33 -36.6 82.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.919 -1.113 . . . . 0.0 109.28 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.34 -46.7 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.084 -1.01 . . . . 0.0 109.561 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.451 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 79.6 mt-10 -63.4 -37.73 88.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.992 -1.068 . . . . 0.0 109.323 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.424 ' NH1' ' OH ' ' A' ' 47' ' ' TYR . 7.0 tpt180 -60.03 -46.73 88.54 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.317 -0.865 . . . . 0.0 109.042 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -74.17 -35.01 39.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -58.3 -46.46 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.381 -0.824 . . . . 0.0 109.397 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.6 mt -97.77 -0.06 45.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 109.033 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.413 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.0 p 41.54 68.51 0.44 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.593 -0.692 . . . . 0.0 109.81 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.444 ' CD1' ' NZ ' ' A' ' 54' ' ' LYS . 53.4 mt -79.02 155.92 28.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.394 -0.816 . . . . 0.0 109.401 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -97.36 140.45 31.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.219 -0.926 . . . . 0.0 109.894 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.39 83.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.22 -0.925 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.15 -45.57 94.1 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.295 -0.878 . . . . 0.0 109.852 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t -62.31 -51.55 67.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 110.397 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.0 -45.33 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.09 -1.006 . . . . 0.0 109.831 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.469 ' CB ' ' NH1' ' B' ' 29' ' ' ARG . . . -64.4 -35.77 81.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.287 -0.883 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.97 -52.71 63.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.032 -1.043 . . . . 0.0 110.585 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -69.15 -40.56 78.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.841 -1.162 . . . . 0.0 109.73 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 78.1 mmm -64.57 -39.31 93.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.421 -0.8 . . . . 0.0 109.595 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.32 30.86 23.9 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.32 163.56 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.546 -0.973 . . . . 0.0 109.554 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -73.05 163.73 27.73 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.332 -0.855 . . . . 0.0 109.979 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.469 ' NH1' ' CB ' ' B' ' 22' ' ' ALA . 71.1 mmt-85 -64.23 -36.84 85.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.42 -42.33 95.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.035 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -63.39 -44.79 93.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.57 -42.3 98.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.365 -0.834 . . . . 0.0 109.464 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . 0.59 ' SG ' ' NE2' ' B' ' 37' ' ' GLN . 0.5 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.278 -0.889 . . . . 0.0 109.521 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -62.34 -41.29 98.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.101 -0.999 . . . . 0.0 109.659 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.96 -48.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 109.692 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.56 -32.32 72.15 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.205 -0.935 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.59 ' NE2' ' SG ' ' B' ' 33' ' ' CYS . 53.1 mt-30 -86.88 -3.18 59.04 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.994 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -171.12 101.55 0.21 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.045 -1.034 . . . . 0.0 109.872 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.06 100.11 13.02 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.9 p -68.45 136.91 53.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 0.0 109.763 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.25 82.58 38.39 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 0.0 109.363 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.91 158.58 42.46 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.24 1.96 . . . . 0.0 112.679 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.409 ' CG2' HD11 ' A' ' 35' ' ' ILE . 7.0 m -50.27 -15.38 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.528 -0.733 . . . . 0.0 110.259 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.426 HG21 ' OE2' ' A' ' 39' ' ' GLU . 99.3 t -60.75 -45.71 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.081 -1.012 . . . . 0.0 109.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.84 -42.95 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -0.893 . . . . 0.0 108.845 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -60.0 -37.82 80.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.456 -0.778 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -48.51 81.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.153 -0.967 . . . . 0.0 108.863 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.92 -43.0 96.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 109.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.502 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -51.35 -45.26 62.28 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.191 -0.943 . . . . 0.0 109.371 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.14 -44.42 94.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.169 -0.957 . . . . 0.0 108.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.55 HD11 HD11 ' A' ' 7' ' ' LEU . 92.1 mt -62.23 -37.91 87.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.305 -0.872 . . . . 0.0 109.108 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.502 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 69.3 mtm180 -60.06 -29.58 68.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -53.21 -33.79 54.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 108.844 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -95.4 -2.84 48.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.148 -0.97 . . . . 0.0 109.458 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.56 41.03 25.82 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' LEU . 76.9 t -65.84 134.57 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.255 . . . . 0.0 109.753 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -52.12 86.45 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.491 -0.755 . . . . 0.0 110.147 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 2.5 pp -90.7 -27.8 18.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 109.474 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -63.69 -44.78 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.926 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.417 ' O ' ' NH1' ' B' ' 64' ' ' ARG . . . -70.55 -38.32 74.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.278 -0.889 . . . . 0.0 109.646 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.18 -44.53 96.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.877 . . . . 0.0 109.596 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.74 -38.58 80.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.218 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.47 -47.82 78.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.906 -1.121 . . . . 0.0 110.66 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' B' ' 60' ' ' ALA . 54.4 mtt85 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.004 -1.06 . . . . 0.0 110.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.005 . . . . 0.0 111.148 -178.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 3' ' ' LEU . 37.1 tt0 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' B' ' 65' ' ' ILE . 24.1 mt -61.41 -45.42 94.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.124 . . . . 0.0 109.861 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 t -75.13 -32.37 61.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.232 -0.918 . . . . 0.0 109.215 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.518 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.2 OUTLIER -64.46 -46.59 82.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.498 -0.751 . . . . 0.0 109.616 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -71.7 -38.17 70.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.339 -0.851 . . . . 0.0 109.842 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.63 -41.34 98.97 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.231 -0.918 . . . . 0.0 108.817 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.79 -37.61 87.37 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.699 -0.625 . . . . 0.0 109.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.53 -44.27 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.132 -0.98 . . . . 0.0 108.784 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -55.96 -40.16 72.82 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.342 -0.849 . . . . 0.0 108.828 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.44 -49.68 76.61 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.199 -0.938 . . . . 0.0 108.827 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.02 -43.84 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.738 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -65.02 -41.12 95.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.404 -0.81 . . . . 0.0 109.748 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -84.26 -3.89 58.5 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 p 44.01 69.26 0.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.552 -0.717 . . . . 0.0 110.148 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.599 HD13 ' NZ ' ' B' ' 54' ' ' LYS . 91.6 mt -103.64 147.68 26.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.516 -0.74 . . . . 0.0 109.819 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.1 p -98.34 131.74 44.39 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.538 0.685 . . . . 0.0 109.78 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -35.52 80.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.65 -47.08 85.27 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.755 . . . . 0.0 110.028 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -60.11 -45.38 93.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 0.0 110.151 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.507 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 74.2 t -67.48 -42.76 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.928 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.86 85.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.281 -0.887 . . . . 0.0 110.382 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.15 -44.94 95.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.989 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.356 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 92.7 mtp -65.04 -38.25 90.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.393 -0.817 . . . . 0.0 109.695 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 31.36 7.8 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 pt -124.7 161.45 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.526 -0.985 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -76.04 162.38 28.09 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.229 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -62.84 -33.73 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.33 -40.48 93.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.307 -0.871 . . . . 0.0 109.54 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.08 -41.44 96.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.322 -0.861 . . . . 0.0 108.913 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' B' ' 47' ' ' TYR . 14.2 tp -64.65 -41.64 95.97 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.9 m -66.91 -32.87 74.42 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.536 -0.727 . . . . 0.0 109.9 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' SER . 72.0 m-20 -60.64 -43.71 97.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.0 109.924 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.86 -46.18 96.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 120.994 -1.066 . . . . 0.0 109.581 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -77.32 -6.14 52.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.323 -0.861 . . . . 0.0 109.691 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -107.86 -23.81 11.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.416 -0.803 . . . . 0.0 108.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' ASN . 14.5 m -82.9 -143.16 0.06 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.349 -0.844 . . . . 0.0 110.256 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.555 ' C ' ' H ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -87.73 -18.91 28.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.426 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.3 m 60.84 -5.11 0.11 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.72 -0.613 . . . . 0.0 109.81 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.555 ' H ' ' C ' ' A' ' 39' ' ' GLU . . . -131.01 84.95 56.45 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.44 -0.788 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.01 158.65 52.05 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.314 2.009 . . . . 0.0 112.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -56.2 -16.65 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.12 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -61.32 -42.52 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.65 -44.08 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.264 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.69 -39.85 90.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.283 -0.886 . . . . 0.0 109.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' B' ' 32' ' ' LEU . 0.3 OUTLIER -56.34 -47.88 77.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.488 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.69 -43.45 98.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.693 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.49 94.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.691 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.77 -42.68 99.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.407 -0.808 . . . . 0.0 109.743 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.569 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.1 mt -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.074 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.6 -35.97 77.42 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.435 -0.791 . . . . 0.0 109.6 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.1 p -55.56 -22.42 21.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 109.684 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' CB ' HD13 ' B' ' 14' ' ' LEU . 1.6 mptm? -96.08 -4.27 43.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.077 -1.014 . . . . 0.0 108.841 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.62 28.28 22.21 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.73 135.03 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.127 -1.22 . . . . 0.0 110.261 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 38.0 p30 -74.92 100.1 4.02 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.874 0.845 . . . . 0.0 110.28 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.38 -15.15 29.42 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.687 HD22 ' N ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -60.44 -49.54 77.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.485 -0.76 . . . . 0.0 109.581 -179.022 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -43.2 97.09 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.35 -0.844 . . . . 0.0 110.012 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.19 -44.41 92.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.373 -0.829 . . . . 0.0 109.528 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.04 -43.66 70.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 63.9 m-20 -64.58 -32.36 73.97 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -47.5 70.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.303 -1.427 0 O-C-N 121.61 -0.681 . . . . 0.0 109.208 -179.594 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.596 0.713 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.508 ' C ' HD23 ' B' ' 3' ' ' LEU . 3.2 tt -51.09 -59.04 4.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.561 -0.712 . . . . 0.0 110.077 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.2 p -61.44 -33.03 73.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.894 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . 0.481 ' O ' HG23 ' B' ' 9' ' ' VAL . 24.7 t-20 -64.6 -45.38 87.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 109.645 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -72.25 -38.32 68.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -0.938 . . . . 0.0 109.566 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 51' ' ' LEU . 57.9 tp -62.9 -43.62 98.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.385 -0.822 . . . . 0.0 109.496 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.92 -37.67 88.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.499 -0.75 . . . . 0.0 109.644 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 5' ' ' ASN . 47.1 t -61.4 -44.3 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.787 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -64.75 -34.99 79.64 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.996 -1.065 . . . . 0.0 109.647 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.555 HH22 ' CD ' ' B' ' 36' ' ' GLU . 48.8 ttp180 -61.83 -38.87 89.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.278 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.46 -42.9 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 CA-C-O 121.434 0.635 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 33.2 mtp-105 -54.11 -43.06 70.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.383 -0.823 . . . . 0.0 109.289 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.412 HD13 ' CB ' ' A' ' 54' ' ' LYS . 84.4 mt -87.56 -4.81 58.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.857 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.0 m 47.56 77.89 0.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.624 -0.672 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.43 138.28 35.12 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.819 0.818 . . . . 0.0 109.778 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.8 p -92.05 138.49 31.49 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 109.683 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.25 82.62 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.554 -0.717 . . . . 0.0 109.508 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.66 -48.62 74.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -62.08 -45.01 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.39 -0.819 . . . . 0.0 109.813 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.05 -43.48 85.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.561 -0.712 . . . . 0.0 109.942 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -51.1 71.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.427 -0.796 . . . . 0.0 110.841 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.79 -49.92 73.05 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.183 -0.948 . . . . 0.0 110.445 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.36 -39.69 92.63 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.027 -1.045 . . . . 0.0 109.889 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.05 -35.61 81.73 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.151 -0.968 . . . . 0.0 109.133 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.2 18.91 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 pt -128.72 165.21 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.551 -0.97 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -79.74 166.29 21.93 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.66 0.743 . . . . 0.0 110.524 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -64.97 -37.38 87.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.56 -0.713 . . . . 0.0 109.29 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.15 -38.93 92.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.511 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.402 ' HA ' HD22 ' B' ' 34' ' ' ASN . 68.1 tp60 -61.21 -45.61 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 0.0 108.725 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 47' ' ' TYR . 48.5 tp -64.96 -38.83 92.27 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -40.46 76.06 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.555 -0.716 . . . . 0.0 109.677 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' B' ' 31' ' ' GLN . 73.0 m-20 -62.09 -43.56 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.382 -0.824 . . . . 0.0 109.364 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 39' ' ' GLU . 66.6 mt -64.18 -45.14 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.368 -0.833 . . . . 0.0 109.226 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.555 ' CD ' HH22 ' B' ' 11' ' ' ARG . 78.9 tt0 -71.74 -17.16 62.22 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.442 -0.786 . . . . 0.0 110.012 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -96.32 -15.51 21.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -0.996 . . . . 0.0 108.835 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.5 p -155.53 47.93 0.52 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' B' ' 40' ' ' THR . 0.0 OUTLIER -52.22 -81.83 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.522 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m 53.47 158.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.724 0.773 . . . . 0.0 110.853 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.46 ' N ' HG22 ' B' ' 40' ' ' THR . . . -89.94 125.44 60.7 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.89 -1.131 . . . . 0.0 110.345 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.69 161.81 30.46 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.622 2.215 . . . . 0.0 112.504 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.97 -20.44 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.245 -0.909 . . . . 0.0 109.459 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.41 -43.77 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.408 -0.807 . . . . 0.0 109.434 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.89 -41.29 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.424 -0.797 . . . . 0.0 109.438 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.73 -41.28 86.07 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.272 -0.893 . . . . 0.0 109.562 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.95 -45.92 91.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.045 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.67 -43.18 94.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.154 -0.966 . . . . 0.0 109.465 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.25 90.42 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.146 -0.971 . . . . 0.0 109.871 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -46.06 90.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.169 -0.957 . . . . 0.0 109.548 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.48 -38.38 90.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.48 -0.762 . . . . 0.0 109.277 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.82 96.22 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.799 . . . . 0.0 109.815 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -64.65 -15.99 62.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 0.0 109.757 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.599 ' NZ ' HD13 ' A' ' 16' ' ' LEU . 98.5 mttt -88.89 7.96 31.75 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.67 13.8 74.74 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.58 136.15 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.328 . . . . 0.0 109.967 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.83 80.0 9.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.567 -0.708 . . . . 0.0 111.085 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 4.0 mm? -68.09 -40.96 82.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -46.76 47.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.448 -0.782 . . . . 0.0 109.434 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.91 85.69 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.543 -0.723 . . . . 0.0 109.856 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.416 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -67.6 -35.55 79.19 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.399 -0.813 . . . . 0.0 109.298 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.58 -31.52 68.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.525 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.495 HH11 ' HG2' ' B' ' 64' ' ' ARG . 28.9 mtp85 -59.71 -34.09 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 108.643 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.53 ' CD1' HD21 ' A' ' 3' ' ' LEU . 96.6 mt . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 109.802 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.261 0.553 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.94 -44.59 95.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.221 -0.925 . . . . 0.0 109.828 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p -62.28 -35.69 79.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 109.63 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -64.83 -39.91 94.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.411 -0.806 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 37.1 mm-40 -59.76 -52.28 66.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 110.08 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 7' ' ' LEU . 11.0 mp -61.84 -39.19 90.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 109.522 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -59.51 -40.36 86.82 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.211 -0.931 . . . . 0.0 109.328 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.19 -45.68 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 109.859 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 1.2 mp0 -61.06 -40.82 95.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.31 -0.868 . . . . 0.0 110.209 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 15' ' ' SER . 52.5 mtp180 -58.81 -42.98 90.42 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.92 -1.112 . . . . 0.0 108.452 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.94 -43.33 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -60.82 -44.95 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.334 -0.854 . . . . 0.0 109.468 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' SER . 91.4 mt -92.78 -2.01 56.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 108.658 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.1 t 36.78 64.26 0.59 Allowed 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.359 0.6 . . . . 0.0 110.331 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -107.28 134.95 49.62 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.469 0.652 . . . . 0.0 109.592 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 p -82.52 158.74 23.03 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.66 0.743 . . . . 0.0 110.412 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.36 -38.28 74.75 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.9 -46.98 82.42 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -61.09 -45.53 94.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.886 . . . . 0.0 109.374 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.92 -42.74 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.388 -0.82 . . . . 0.0 109.481 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.65 89.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.466 -0.771 . . . . 0.0 109.832 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -62.04 -49.99 73.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.121 -0.987 . . . . 0.0 109.755 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' OE1' ' CE1' ' B' ' 50' ' ' PHE . 4.7 tm-20 -70.4 -43.07 70.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.938 . . . . 0.0 110.064 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.8 -39.17 90.67 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.599 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.09 18.08 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.99 166.15 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.466 -1.02 . . . . 0.0 110.028 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -73.43 161.55 30.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.672 0.749 . . . . 0.0 110.169 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -64.91 -38.86 92.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.518 -0.739 . . . . 0.0 109.243 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -65.26 -40.02 93.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.394 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.446 HE21 HG21 ' B' ' 43' ' ' VAL . 68.5 tp60 -61.15 -43.62 98.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.363 -0.836 . . . . 0.0 109.357 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.345 -0.847 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.64 -38.96 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.414 -0.804 . . . . 0.0 109.856 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 38' ' ' SER . 36.0 t30 -63.16 -37.38 87.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 109.919 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' B' ' 43' ' ' VAL . 94.0 mt -61.47 -42.7 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.832 . . . . 0.0 109.257 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -65.17 -37.89 88.81 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.164 -0.96 . . . . 0.0 110.478 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -109.05 19.74 19.19 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.346 -0.846 . . . . 0.0 109.206 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' ASN . 7.7 t -61.33 -40.7 95.2 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 0.0 109.68 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 56.63 -88.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.573 0.701 . . . . 0.0 109.761 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' SER . 9.5 m -56.77 97.15 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.3 -0.875 . . . . 0.0 109.462 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.87 151.16 76.22 Favored Pre-proline 0 C--N 1.304 -1.405 0 O-C-N 121.48 -0.762 . . . . 0.0 109.61 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.01 152.22 80.66 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.514 2.143 . . . . 0.0 112.951 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 p -63.73 -26.64 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.87 -33.81 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.018 -1.052 . . . . 0.0 109.619 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.51 -43.97 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.22 -0.925 . . . . 0.0 108.867 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.39 -40.99 98.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.537 -0.727 . . . . 0.0 109.501 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.02 -41.46 98.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -0.849 . . . . 0.0 109.082 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.85 -43.77 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.327 -0.858 . . . . 0.0 108.841 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.82 70.36 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.36 -0.837 . . . . 0.0 108.987 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -62.9 -49.21 75.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.452 -0.78 . . . . 0.0 109.658 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.05 -21.89 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.453 -0.779 . . . . 0.0 109.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -61.91 -42.8 99.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -58.8 -33.49 70.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.603 -0.686 . . . . 0.0 109.223 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -75.52 1.6 13.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.228 -0.92 . . . . 0.0 108.643 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.94 32.54 84.36 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.91 -21.31 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.71 -1.465 . . . . 0.0 108.95 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.558 ' OD1' ' ND2' ' A' ' 59' ' ' ASN . 25.6 t0 66.84 82.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.549 0.69 . . . . 0.0 109.866 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.6 mt -92.06 -27.38 17.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.657 -0.652 . . . . 0.0 109.459 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.558 ' ND2' ' OD1' ' A' ' 57' ' ' ASP . 1.4 p-10 -43.14 -41.23 3.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -41.55 73.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.4 tt -63.06 -50.08 72.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.349 -0.844 . . . . 0.0 109.389 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.44 -0.788 . . . . 0.0 109.832 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.75 -37.53 51.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.396 -0.815 . . . . 0.0 109.912 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -71.19 -9.57 58.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.131 -0.98 . . . . 0.0 109.68 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.302 -0.874 . . . . 0.0 109.299 179.828 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.736 0.779 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.5 -43.52 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.522 -0.736 . . . . 0.0 109.791 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -66.06 -40.28 90.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.223 -0.923 . . . . 0.0 110.188 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -64.77 -45.99 84.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 110.059 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.78 -36.54 78.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.253 -0.905 . . . . 0.0 109.232 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.9 tp -62.92 -41.75 99.57 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 109.246 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.44 ' NZ ' ' NH1' ' B' ' 11' ' ' ARG . 11.5 mmtt -64.99 -37.79 88.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.458 -0.776 . . . . 0.0 110.028 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.47 -44.18 92.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.344 -0.848 . . . . 0.0 109.223 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -64.39 -43.0 95.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.16 -0.963 . . . . 0.0 110.067 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 15' ' ' SER . 43.0 ttt180 -60.91 -44.89 96.54 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.904 -1.122 . . . . 0.0 109.109 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.12 -42.3 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -45.32 78.67 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' B' ' 15' ' ' SER . 91.3 mt -92.24 -2.14 56.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.514 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.5 m 36.41 73.22 0.09 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.271 0.558 . . . . 0.0 110.236 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -101.43 138.17 38.8 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.684 0.754 . . . . 0.0 109.995 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p -82.04 136.71 35.19 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.557 0.694 . . . . 0.0 110.131 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.75 85.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.463 -0.773 . . . . 0.0 109.666 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.87 -47.64 82.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.828 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.9 -46.28 88.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 110.075 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.68 -43.51 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.28 -0.887 . . . . 0.0 109.839 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.21 86.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.438 -0.789 . . . . 0.0 109.995 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.53 -45.33 79.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.959 . . . . 0.0 109.61 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -74.44 -36.49 63.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.974 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mmm -64.65 -36.37 84.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.368 -0.832 . . . . 0.0 109.259 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.38 24.16 27.15 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.0 pt -124.62 165.38 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.494 -1.003 . . . . 0.0 109.934 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -72.69 160.43 32.23 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.454 -0.778 . . . . 0.0 110.267 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.7 -40.71 97.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.57 -0.706 . . . . 0.0 109.28 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.37 -40.96 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.422 -0.799 . . . . 0.0 109.635 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.45 -39.83 94.63 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 109.226 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.99 -40.98 97.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.278 -0.889 . . . . 0.0 109.328 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.12 -35.52 78.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.468 -0.77 . . . . 0.0 109.35 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.27 -39.67 93.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.335 -0.853 . . . . 0.0 109.055 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.53 -43.94 98.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.435 -0.79 . . . . 0.0 109.125 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.94 -34.35 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 109.3 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -92.72 14.94 15.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.51 -0.743 . . . . 0.0 109.09 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 35.7 t -58.03 136.28 57.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.371 -0.83 . . . . 0.0 110.125 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -105.49 -69.48 0.82 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.625 -0.672 . . . . 0.0 109.239 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -95.63 116.19 28.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.102 -0.999 . . . . 0.0 109.376 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 150.88 87.66 Favored Pre-proline 0 N--CA 1.487 1.396 0 O-C-N 121.34 -0.85 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -66.11 151.26 84.17 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.54 2.16 . . . . 0.0 112.821 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 35' ' ' ILE . 18.9 m -67.32 -19.17 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 109.969 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' ' 45' ' ' VAL . 9.3 p -56.03 -40.25 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.0 109.438 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.47 ' N ' HG13 ' B' ' 44' ' ' VAL . 89.8 t -63.89 -44.01 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.1 -41.71 99.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.361 -0.837 . . . . 0.0 109.208 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.36 -43.85 97.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.414 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.565 HG23 HD22 ' B' ' 58' ' ' LEU . 95.1 mt -63.06 -43.22 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.366 -0.834 . . . . 0.0 109.337 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.487 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -55.8 -38.54 70.08 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.272 -0.892 . . . . 0.0 109.522 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' OE1' ' A' ' 24' ' ' GLU . 10.8 t80 -62.64 -46.9 86.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.408 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.56 -40.62 93.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.3 -0.875 . . . . 0.0 109.948 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 73.1 mtm180 -64.15 -37.98 89.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.273 -0.892 . . . . 0.0 109.276 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 94.6 p -61.27 -19.05 61.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.293 -0.879 . . . . 0.0 109.33 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -94.93 2.07 55.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.264 -0.897 . . . . 0.0 108.932 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' B' ' 57' ' ' ASP . . . 73.89 25.04 72.68 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.772 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.562 ' O ' HG12 ' B' ' 56' ' ' VAL . 54.9 t -60.77 -2.94 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.643 -1.504 . . . . 0.0 109.617 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' B' ' 55' ' ' GLY . 17.4 m-20 57.62 69.94 0.7 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.642 -0.661 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.565 HD22 HG23 ' B' ' 48' ' ' ILE . 4.4 tp -77.57 -1.26 29.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.374 -0.829 . . . . 0.0 108.893 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -63.0 -41.91 99.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.604 -0.685 . . . . 0.0 109.623 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.12 75.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 110.319 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.64 -51.26 70.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.159 -0.963 . . . . 0.0 109.899 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.88 -38.41 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.373 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.53 -22.84 56.67 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.2 -0.937 . . . . 0.0 108.558 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -86.87 -30.13 21.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.979 -1.075 . . . . 0.0 109.601 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 N--CA 1.498 1.975 0 O-C-N 120.976 -1.077 . . . . 0.0 110.169 179.779 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.706 0.765 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.97 -39.38 94.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.757 -0.59 . . . . 0.0 110.423 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -55.48 -38.2 68.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.946 . . . . 0.0 110.29 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.9 -46.4 85.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.886 -1.134 . . . . 0.0 109.52 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -70.89 -42.24 70.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.144 -0.972 . . . . 0.0 109.222 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.34 -41.33 98.87 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.144 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.17 -39.08 85.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.0 109.262 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.5 -44.53 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.913 . . . . 0.0 109.096 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -56.52 -41.8 77.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.216 -0.927 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -59.18 -44.53 92.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.046 -1.033 . . . . 0.0 108.497 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.39 -25.44 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.618 -0.676 . . . . 0.0 109.585 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -59.11 -44.58 92.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.749 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 15' ' ' SER . 96.5 mt -101.44 2.35 39.26 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 p 47.62 77.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.378 -0.826 . . . . 0.0 110.629 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.71 157.77 15.75 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -102.68 133.86 47.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.625 -0.672 . . . . 0.0 109.284 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.24 90.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 0.0 109.807 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.19 -47.04 84.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.208 -0.933 . . . . 0.0 110.204 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -61.18 -44.3 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.11 -0.994 . . . . 0.0 110.167 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -62.92 -46.51 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.041 -1.037 . . . . 0.0 109.936 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.45 91.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.943 . . . . 0.0 109.933 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -68.88 -43.39 75.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.099 -1.0 . . . . 0.0 109.94 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -67.45 -45.41 76.09 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.154 -0.966 . . . . 0.0 110.147 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.0 mtp -65.51 -39.0 91.33 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.28 -0.888 . . . . 0.0 109.755 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.68 27.48 6.71 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 pt -125.23 162.87 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.543 -0.975 . . . . 0.0 109.434 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -75.7 157.73 33.23 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 110.049 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 54.7 mtm180 -65.07 -26.71 68.36 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.492 -0.755 . . . . 0.0 109.231 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.41 -44.82 96.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 109.065 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.97 -43.6 87.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.1 -41.38 97.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.356 -0.84 . . . . 0.0 109.12 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 97.1 m -62.22 -34.16 75.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.058 . . . . 0.0 109.745 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.47 -44.7 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.962 . . . . 0.0 109.474 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.39 -35.69 73.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -96.76 38.54 1.21 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.856 . . . . 0.0 110.27 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -159.15 124.75 4.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.0 -69.26 0.73 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.248 -0.907 . . . . 0.0 110.079 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 28.5 p -37.39 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.453 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.64 153.91 41.14 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.578 -0.701 . . . . 0.0 109.139 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.06 151.66 84.36 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.765 2.31 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.39 -18.67 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.498 -0.751 . . . . 0.0 110.26 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 45' ' ' VAL . 9.9 p -55.77 -40.38 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.959 . . . . 0.0 109.281 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.464 ' N ' HG13 ' A' ' 44' ' ' VAL . 90.5 t -62.65 -46.03 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.209 -0.932 . . . . 0.0 109.084 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.28 -38.46 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.334 -0.854 . . . . 0.0 109.051 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.94 -41.65 87.92 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 109.124 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.31 -43.77 98.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.174 -0.954 . . . . 0.0 109.113 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -36.69 80.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.283 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CE2' HG22 ' B' ' 21' ' ' VAL . 46.7 t80 -60.61 -46.39 90.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.178 -0.951 . . . . 0.0 109.367 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.5 mt -62.62 -42.1 99.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 0.0 109.15 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.434 HH12 HD22 ' B' ' 59' ' ' ASN . 29.6 ttm180 -60.94 -41.98 97.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 109.386 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 t -59.0 -18.55 35.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.893 . . . . 0.0 109.325 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -93.23 2.64 56.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.309 -0.87 . . . . 0.0 108.956 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.98 9.93 61.8 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.88 133.59 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.941 -1.329 . . . . 0.0 109.149 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.84 111.21 20.55 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 110.409 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 58' ' ' LEU . 3.3 mm? -90.63 -10.91 41.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.413 -0.804 . . . . 0.0 109.191 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 7.1 p30 -63.51 -39.54 94.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.801 . . . . 0.0 109.257 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.977 . . . . 0.0 109.576 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' B' ' 6' ' ' GLU . 4.0 mm? -62.72 -44.91 94.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.363 -0.836 . . . . 0.0 109.933 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.45 -43.14 73.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 0.0 109.688 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.88 -36.68 84.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -44.54 96.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.557 -0.714 . . . . 0.0 109.2 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.0 110.081 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.48 0.657 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.56 -41.82 98.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.693 . . . . 0.0 109.718 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -58.26 -43.05 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.184 -0.948 . . . . 0.0 109.501 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . 0.402 ' O ' HG23 ' B' ' 9' ' ' VAL . 33.9 t30 -62.92 -44.0 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.979 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.551 ' HG2' HD11 ' A' ' 61' ' ' LEU . 48.1 tp10 -70.4 -32.52 70.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.051 -1.031 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 51' ' ' LEU . 51.9 tp -61.22 -45.64 93.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 109.218 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.62 -37.71 88.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.534 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 5' ' ' ASN . 71.6 t -60.39 -44.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.02 -1.05 . . . . 0.0 109.846 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -61.6 -35.56 78.2 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.893 -1.13 . . . . 0.0 109.115 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -59.69 -44.59 93.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.56 -44.55 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -63.3 -36.2 82.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.336 -0.852 . . . . 0.0 109.167 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' B' ' 15' ' ' SER . 63.4 mt -79.28 -4.93 53.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.404 ' C ' ' O ' ' B' ' 14' ' ' LEU . 3.1 t 38.63 57.0 1.84 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 122.004 -0.435 . . . . 0.0 110.134 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.692 HD12 ' C ' ' B' ' 16' ' ' LEU . 3.5 pp -106.34 150.81 25.61 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.574 -0.704 . . . . 0.0 109.992 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -94.03 137.85 32.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.24 -0.913 . . . . 0.0 110.42 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.21 83.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.612 -0.68 . . . . 0.0 109.864 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.06 -44.33 97.55 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.126 -0.984 . . . . 0.0 109.83 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -62.14 -44.37 96.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.462 HG22 ' CE2' ' A' ' 50' ' ' PHE . 77.4 t -64.32 -44.41 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.779 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.78 82.68 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.42 -45.86 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.006 -1.059 . . . . 0.0 110.598 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.85 -46.64 77.73 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.142 -0.974 . . . . 0.0 110.341 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.461 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 93.8 mtp -66.06 -38.88 89.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.354 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.44 32.37 6.37 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -126.35 163.27 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.517 -0.99 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -79.81 158.6 26.77 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.793 0.806 . . . . 0.0 110.245 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.8 mtm-85 -62.0 -35.83 79.71 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.516 -0.74 . . . . 0.0 109.267 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.87 -40.72 94.01 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.679 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.89 -45.88 90.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.081 -1.012 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.06 -40.45 96.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.483 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.94 -36.06 76.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.299 -0.876 . . . . 0.0 109.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -62.31 -40.39 96.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.827 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.13 -43.55 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.507 -0.746 . . . . 0.0 109.757 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.38 -36.4 80.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.5 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.61 0.28 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.136 -0.977 . . . . 0.0 109.392 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -71.63 139.47 49.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.576 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -104.37 -48.27 3.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.347 -0.845 . . . . 0.0 108.798 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -105.89 162.53 13.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.98 142.71 25.17 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.332 -0.855 . . . . 0.0 109.128 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -66.16 160.35 45.28 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.116 1.877 . . . . 0.0 112.395 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.419 ' H ' HG22 ' B' ' 43' ' ' VAL . 12.8 m -63.16 -31.23 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.403 -0.811 . . . . 0.0 110.814 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 45' ' ' VAL . 14.6 p -46.47 -37.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.504 ' N ' HG13 ' B' ' 44' ' ' VAL . 79.7 t -65.07 -44.02 95.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.62 -33.0 74.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -57.8 -46.14 85.08 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.01 91.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.254 -0.904 . . . . 0.0 110.312 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.0 -48.01 82.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.053 -1.029 . . . . 0.0 109.64 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.9 -41.33 99.4 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.097 -1.002 . . . . 0.0 109.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 52' ' ' ARG . 26.8 mtp85 -62.69 -36.1 81.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.667 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 55.8 p -58.92 -19.2 40.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.246 -0.909 . . . . 0.0 108.712 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -97.09 -1.15 45.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.351 -0.843 . . . . 0.0 109.119 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . 0.475 ' O ' ' OD2' ' B' ' 57' ' ' ASP . . . 84.08 23.95 50.16 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.296 -0.954 . . . . 0.0 110.9 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.38 -45.57 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.903 -1.351 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 55' ' ' GLY . 1.1 m-20 65.38 61.74 0.7 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.339 -0.851 . . . . 0.0 109.684 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.588 ' H ' HD23 ' B' ' 58' ' ' LEU . 0.3 OUTLIER -88.52 -2.43 58.59 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.073 -1.017 . . . . 0.0 108.906 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -56.23 -50.75 70.4 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.357 -0.84 . . . . 0.0 108.923 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.89 -21.97 50.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.171 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.99 -53.58 55.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.029 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -85.26 -23.63 28.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.813 -1.179 . . . . 0.0 110.318 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.1 -34.7 57.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.762 -1.211 . . . . 0.0 109.032 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -59.15 -33.4 70.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.023 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.266 -0.896 . . . . 0.0 109.952 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.442 0.639 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -60.72 -46.32 90.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.258 -0.901 . . . . 0.0 109.196 -178.455 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.7 t -63.5 -42.0 98.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.131 -0.981 . . . . 0.0 109.313 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.436 ' O ' HG23 ' A' ' 9' ' ' VAL . 17.9 t-20 -62.26 -40.62 96.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.28 -50.88 71.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.046 . . . . 0.0 110.361 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.7 mp -63.14 -41.54 99.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.969 -1.082 . . . . 0.0 109.245 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.29 -42.15 99.1 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.64 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 5' ' ' ASN . 50.9 t -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.93 . . . . 0.0 110.201 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.14 -38.64 91.97 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 109.355 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' NH1' ' CD ' ' A' ' 36' ' ' GLU . 49.8 ttt180 -59.17 -42.45 90.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.576 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.79 -42.51 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.712 -0.618 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -54.66 -44.3 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.015 -1.053 . . . . 0.0 110.017 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.34 -4.23 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.006 -1.059 . . . . 0.0 108.575 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t 50.54 75.94 0.16 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 110.717 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.92 137.01 49.08 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.0 p -86.58 158.75 19.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.471 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.64 81.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.0 109.277 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.02 -45.94 89.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.452 -0.78 . . . . 0.0 110.128 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.4 m -60.45 -45.97 91.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.953 -1.092 . . . . 0.0 109.658 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.05 -44.82 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.597 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.84 92.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.4 -41.28 89.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.865 . . . . 0.0 108.967 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.96 -52.83 17.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -0.923 . . . . 0.0 109.297 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.3 mtp -65.84 -39.4 90.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.404 -0.81 . . . . 0.0 109.572 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.26 40.36 6.98 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 pt -127.04 164.79 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.439 -1.036 . . . . 0.0 109.979 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 154.69 40.95 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.222 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -64.56 -37.31 87.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.455 -0.778 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.46 -41.88 95.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 109.549 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.44 -40.96 98.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 0.0 109.081 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.31 -39.91 95.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.281 -0.887 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.0 m -57.0 -42.51 80.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.104 -0.998 . . . . 0.0 109.202 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -64.61 -41.69 96.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.268 -0.895 . . . . 0.0 109.408 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.21 -43.39 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.701 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' CD ' ' NH1' ' A' ' 11' ' ' ARG . 27.0 mt-10 -54.85 -46.03 74.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.195 -0.94 . . . . 0.0 109.592 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' SER . 15.8 pt20 -93.7 21.31 6.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 108.969 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 p -41.93 103.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.561 -0.712 . . . . 0.0 109.782 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.18 -81.45 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.504 -0.747 . . . . 0.0 109.716 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.2 t -103.04 161.08 14.06 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.356 -0.84 . . . . 0.0 109.789 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . . . -87.27 149.33 46.86 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.121 -0.987 . . . . 0.0 109.4 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.87 165.22 31.84 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.556 2.171 . . . . 0.0 112.17 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 m -59.49 -28.51 40.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.413 -0.804 . . . . 0.0 109.809 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.34 -46.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.053 -1.03 . . . . 0.0 109.952 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.2 -43.68 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.08 -1.013 . . . . 0.0 109.631 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' NZ ' ' O ' ' A' ' 41' ' ' ALA . 63.3 mttp -60.7 -42.41 97.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -61.9 -42.78 99.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.195 -0.941 . . . . 0.0 109.315 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.432 ' CG2' HD22 ' A' ' 58' ' ' LEU . 93.3 mt -62.37 -43.84 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 0.0 109.2 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -35.19 76.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.203 -0.936 . . . . 0.0 108.911 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -60.38 -46.39 90.12 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.0 -40.98 99.39 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -62.34 -37.06 84.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.0 109.504 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -61.73 -19.13 62.09 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.186 -0.946 . . . . 0.0 109.159 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -95.27 0.38 53.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.191 -0.943 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.29 27.73 47.42 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 120.026 -1.083 . . . . 0.0 110.835 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.01 -22.04 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.805 -1.409 . . . . 0.0 109.161 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 63.7 68.91 0.57 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.523 0.677 . . . . 0.0 109.889 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.507 HD21 ' CE1' ' A' ' 62' ' ' PHE . 5.4 tp -62.92 -38.34 90.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.613 -0.679 . . . . 0.0 109.782 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' LEU . 46.0 m-80 -34.35 -54.13 0.51 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.254 0.549 . . . . 0.0 110.834 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.96 80.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' LEU . 5.6 tt -60.65 -48.51 81.45 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.019 -1.051 . . . . 0.0 110.315 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 58' ' ' LEU . 3.4 m-30 -73.84 -39.99 63.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.943 -1.098 . . . . 0.0 109.635 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.1 -18.01 59.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -18.56 61.99 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 N--CA 1.499 1.988 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.374 0.607 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.428 HD23 ' OE1' ' B' ' 6' ' ' GLU . 12.3 mt -63.77 -37.89 89.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.369 -0.832 . . . . 0.0 109.825 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.4 t -56.97 -45.27 83.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.025 -1.047 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -65.66 -39.36 91.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.101 -0.999 . . . . 0.0 109.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.428 ' OE1' HD23 ' B' ' 3' ' ' LEU . 74.0 mt-10 -57.44 -51.88 67.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.083 -1.011 . . . . 0.0 110.68 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.432 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.5 mp -63.03 -40.25 97.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.027 -1.046 . . . . 0.0 109.208 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.21 -43.8 92.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 109.71 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.09 -44.55 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.224 -0.923 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -65.14 -42.59 93.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.044 -1.035 . . . . 0.0 110.308 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' B' ' 15' ' ' SER . 54.8 ttp180 -60.5 -46.55 89.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.96 -43.15 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.703 -0.623 . . . . 0.0 109.895 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -57.76 -45.02 86.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.207 -0.933 . . . . 0.0 109.244 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 83.3 mt -92.84 -0.95 57.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.191 -0.943 . . . . 0.0 108.506 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.426 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 40.8 81.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.844 -0.535 . . . . 0.0 110.992 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.74 140.42 35.04 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.286 -0.884 . . . . 0.0 109.029 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -87.76 134.26 33.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.399 -0.813 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.39 83.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.472 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.56 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 68.1 mttm -62.92 -46.82 86.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.97 -1.081 . . . . 0.0 109.971 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.5 t -65.09 -46.31 81.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.114 -0.991 . . . . 0.0 109.832 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.32 -46.06 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.831 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.73 93.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 110.283 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.42 -45.52 83.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -69.8 -42.61 73.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.315 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 73.3 mmm -65.8 -39.68 91.18 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.506 -0.746 . . . . 0.0 109.459 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.65 9.07 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.12 168.06 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 O-C-N 121.344 -1.092 . . . . 0.0 110.238 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -70.93 154.01 42.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.56 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 76.8 mtm180 -65.02 -37.02 86.27 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 108.912 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.31 -42.15 98.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.959 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.18 -43.03 96.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.03 -43.21 99.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 109.126 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -31.24 72.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.187 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -62.36 -42.37 99.35 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.073 -1.017 . . . . 0.0 110.379 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' B' ' 40' ' ' THR . 95.4 mt -61.29 -70.01 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.467 -0.771 . . . . 0.0 111.968 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -52.77 -28.7 23.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.398 -0.813 . . . . 0.0 110.983 -177.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -1.88 45.43 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.714 -1.241 . . . . 0.0 110.821 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 177.88 155.06 0.34 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.873 -1.142 . . . . 0.0 109.539 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 49.08 94.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.828 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' ILE . 53.0 p -132.6 -12.4 3.03 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.374 -0.828 . . . . 0.0 109.445 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.59 81.2 64.84 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.459 -0.775 . . . . 0.0 109.781 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.24 -179.63 5.62 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.328 2.019 . . . . 0.0 112.289 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.33 -33.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.336 -0.853 . . . . 0.0 109.946 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.84 -46.54 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.045 . . . . 0.0 109.846 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.99 -42.03 93.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.0 109.539 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.23 -40.13 80.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.077 -1.014 . . . . 0.0 109.164 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -61.12 -48.55 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.181 -0.95 . . . . 0.0 109.613 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.618 HG22 HD22 ' B' ' 58' ' ' LEU . 50.2 mt -63.9 -45.87 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.95 -1.094 . . . . 0.0 108.937 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.2 75.02 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.222 -0.924 . . . . 0.0 109.321 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -57.34 -44.56 84.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.63 -39.43 93.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' H ' ' B' ' 57' ' ' ASP . 48.7 ttp180 -60.09 -40.2 88.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.281 -0.887 . . . . 0.0 110.173 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -61.36 -16.35 45.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.142 -0.974 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -93.26 1.25 57.11 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.233 -0.917 . . . . 0.0 110.094 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.52 1.53 57.75 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.67 -41.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.999 -1.295 . . . . 0.0 109.406 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.467 ' H ' ' HA ' ' B' ' 52' ' ' ARG . 83.8 m-20 60.68 87.2 0.09 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.657 0.742 . . . . 0.0 110.328 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.618 HD22 HG22 ' B' ' 48' ' ' ILE . 2.9 pp -69.38 -37.26 77.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.63 -0.669 . . . . 0.0 110.37 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' B' ' 58' ' ' LEU . 12.8 p-10 -41.57 -53.48 3.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.202 -0.936 . . . . 0.0 110.749 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.81 85.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.132 -0.98 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.581 ' O ' HD23 ' B' ' 61' ' ' LEU . 3.0 tt -60.0 -47.07 87.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.218 -0.926 . . . . 0.0 108.644 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' B' ' 65' ' ' ILE . 2.3 m-85 -70.07 -32.54 70.68 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.144 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -49.11 -34.57 14.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.34 -41.16 84.04 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' B' ' 62' ' ' PHE . 60.8 mt . . . . . 0 N--CA 1.497 1.894 0 O-C-N 121.451 -0.781 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.476 0.655 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.45 -45.1 94.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.446 -0.784 . . . . 0.0 110.365 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 m -60.44 -36.75 78.96 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.226 -0.921 . . . . 0.0 109.698 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.674 ' O ' HG23 ' A' ' 9' ' ' VAL . 56.5 t30 -61.8 -45.5 93.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.344 -0.847 . . . . 0.0 109.862 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -70.87 -42.05 70.59 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.157 -0.964 . . . . 0.0 109.678 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.41 -45.0 95.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.838 . . . . 0.0 110.436 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' NZ ' ' OD1' ' A' ' 5' ' ' ASN . 9.5 pttm -65.4 -34.15 77.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.0 109.386 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 5' ' ' ASN . 38.8 t -58.52 -46.25 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.408 -0.807 . . . . 0.0 109.326 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.55 -45.6 86.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.86 -1.15 . . . . 0.0 109.574 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -59.59 -44.85 93.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 109.571 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.96 -43.34 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.463 -0.773 . . . . 0.0 109.484 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -58.41 -44.71 89.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 109.7 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.7 mt -89.66 -1.49 58.03 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.246 -0.908 . . . . 0.0 109.147 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.2 p 41.55 73.71 0.12 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.646 -0.659 . . . . 0.0 109.65 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -98.9 136.15 39.31 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.327 -0.858 . . . . 0.0 109.822 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -89.03 134.79 33.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.501 -0.75 . . . . 0.0 109.721 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.28 83.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.43 -0.794 . . . . 0.0 109.68 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -62.75 -46.27 88.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.817 . . . . 0.0 109.771 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -60.59 -44.83 95.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.718 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.61 -43.55 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.329 -0.857 . . . . 0.0 109.437 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.47 86.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 110.273 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.29 -38.33 89.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.488 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.5 -51.0 26.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.275 -0.89 . . . . 0.0 109.863 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.68 -39.12 93.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.413 -0.804 . . . . 0.0 109.599 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.2 30.36 7.06 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -126.63 167.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.449 -1.03 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 p -75.12 154.47 37.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 110.356 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -65.52 -39.0 91.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 109.266 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -57.0 -42.11 79.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.01 -40.24 97.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.22 -0.925 . . . . 0.0 109.253 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.96 -42.12 98.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.404 -0.81 . . . . 0.0 109.497 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 99.0 m -60.94 -36.28 78.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.359 -0.838 . . . . 0.0 109.412 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -64.16 -37.0 85.89 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.18 -44.61 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.966 . . . . 0.0 110.096 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.13 -32.7 72.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 108.955 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -82.57 20.23 1.15 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.358 -0.839 . . . . 0.0 109.301 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 40' ' ' THR . 73.7 m -73.02 -7.14 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.261 -0.9 . . . . 0.0 109.099 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 47.94 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.695 -0.628 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 38' ' ' SER . 13.1 t -98.22 136.53 38.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.121 -0.987 . . . . 0.0 109.429 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 152.15 94.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.918 . . . . 0.0 109.979 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.81 160.49 47.77 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.759 2.306 . . . . 0.0 112.754 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 43' ' ' VAL . 5.7 m -59.8 -20.55 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.377 -0.827 . . . . 0.0 109.136 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.11 -45.52 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.344 -0.847 . . . . 0.0 108.982 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.319 -0.863 . . . . 0.0 108.977 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.75 -39.21 93.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.37 -0.831 . . . . 0.0 109.258 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -60.0 -41.21 91.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.219 -0.926 . . . . 0.0 109.168 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.14 -43.15 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.352 -0.842 . . . . 0.0 109.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.42 -34.77 71.16 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.188 -0.945 . . . . 0.0 109.158 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.39 -48.37 81.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.11 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' CD1' HD11 ' B' ' 7' ' ' LEU . 98.7 mt -63.69 -41.37 98.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.343 -0.848 . . . . 0.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -43.39 93.23 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 m -60.52 -33.42 72.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.552 -0.717 . . . . 0.0 109.381 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -74.49 3.97 6.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.345 -0.847 . . . . 0.0 109.047 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.77 17.18 79.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.7 t -65.44 134.04 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.251 . . . . 0.0 109.437 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.6 64.37 0.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 109.934 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' VAL . 6.1 tp -66.11 -32.76 74.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.666 -0.646 . . . . 0.0 109.266 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.27 -42.77 82.22 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.34 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.26 -46.51 90.08 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.091 -1.006 . . . . 0.0 109.65 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.0 -40.05 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.416 -0.802 . . . . 0.0 110.159 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.21 -47.02 54.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.339 -0.851 . . . . 0.0 110.023 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -68.38 -37.81 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.849 -1.157 . . . . 0.0 109.747 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 0.0 109.407 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.383 0.611 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.12 -42.82 96.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.413 -0.804 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.4 t -60.9 -40.69 94.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.327 -0.858 . . . . 0.0 109.858 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . 0.532 HD22 ' C ' ' B' ' 5' ' ' ASN . 0.3 OUTLIER -61.11 -47.29 86.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.222 -0.924 . . . . 0.0 110.034 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 33.1 mm-40 -69.86 -42.07 74.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 51' ' ' LEU . 47.1 tp -62.97 -42.38 99.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.487 -0.758 . . . . 0.0 109.547 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.482 ' NZ ' HH21 ' B' ' 11' ' ' ARG . 63.7 tttp -62.87 -37.97 89.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 109.828 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 5' ' ' ASN . 54.4 t -60.93 -46.65 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 3.5 mp0 -67.76 -39.21 84.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.25 -0.906 . . . . 0.0 109.647 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.482 HH21 ' NZ ' ' B' ' 8' ' ' LYS . 3.5 tmm_? -57.0 -45.03 83.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.178 -0.951 . . . . 0.0 108.69 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.15 -46.33 90.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.249 -0.907 . . . . 0.0 109.761 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 14' ' ' LEU . 3.4 mm? -80.84 -2.72 48.5 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.993 -1.067 . . . . 0.0 108.636 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.429 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.2 m 36.8 57.56 1.15 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.237 0.541 . . . . 0.0 109.72 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.52 147.16 33.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.256 -0.902 . . . . 0.0 110.041 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p -97.62 139.9 32.83 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 110.01 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.59 88.13 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 0.0 110.1 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -62.44 -47.49 83.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.3 -0.875 . . . . 0.0 109.871 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -62.03 -44.09 97.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 109.643 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.02 -43.53 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.393 -0.817 . . . . 0.0 109.449 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.51 92.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 110.352 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -65.93 -40.32 91.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.923 -1.111 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.06 -56.35 10.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.21 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 83.6 mtp -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.408 -0.807 . . . . 0.0 109.404 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.26 36.76 6.48 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -126.28 167.36 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.46 -1.024 . . . . 0.0 110.158 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -73.39 161.94 29.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.404 -0.81 . . . . 0.0 110.296 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -65.02 -39.91 94.07 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -65.04 -38.02 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -62.28 -38.87 90.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 0.0 109.002 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.35 -42.24 99.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.302 -0.874 . . . . 0.0 109.402 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.1 m -60.66 -37.1 80.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -64.56 -36.73 85.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.348 -0.845 . . . . 0.0 109.535 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.01 -43.03 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 108.957 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' B' ' 38' ' ' SER . 68.0 mt-10 -64.98 -36.31 83.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.543 -0.723 . . . . 0.0 109.251 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.27 36.75 0.1 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.479 ' H ' ' C ' ' B' ' 36' ' ' GLU . 47.8 t -70.14 100.24 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 40' ' ' THR . 65.5 mm-40 -67.38 99.86 0.77 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.195 -0.94 . . . . 0.0 108.79 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' O ' ' B' ' 39' ' ' GLU . 88.0 m 59.68 143.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.34 0.59 . . . . 0.0 109.467 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.4 142.68 89.62 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.307 -0.871 . . . . 0.0 110.381 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.14 161.37 43.36 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.638 2.226 . . . . 0.0 112.952 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.44 -20.39 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.823 . . . . 0.0 109.517 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.39 -45.59 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -43.03 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -60.37 -37.69 81.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.85 -43.17 90.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.959 . . . . 0.0 108.952 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.78 -42.46 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.6 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.437 -0.789 . . . . 0.0 109.065 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -62.17 -48.15 81.34 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.437 HD22 ' N ' ' B' ' 51' ' ' LEU . 3.8 mm? -65.09 -42.54 93.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.427 -0.796 . . . . 0.0 109.16 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -66.11 -38.79 89.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.401 -0.812 . . . . 0.0 109.331 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -55.33 -33.86 63.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 0.0 109.83 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -83.44 2.66 35.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.106 -0.997 . . . . 0.0 109.452 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.48 26.79 69.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' B' ' 58' ' ' LEU . 54.4 t -68.19 135.09 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.302 . . . . 0.0 109.479 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -47.52 83.7 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.723 -0.611 . . . . 0.0 110.365 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' B' ' 56' ' ' VAL . 57.3 tp -91.73 -42.65 10.02 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.338 -0.851 . . . . 0.0 109.699 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -54.54 28.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 109.645 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.16 95.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.065 -1.022 . . . . 0.0 109.475 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tp -41.57 -57.9 2.1 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.691 -0.631 . . . . 0.0 110.268 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.69 -44.49 93.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.324 -0.86 . . . . 0.0 109.532 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -44.6 -33.74 1.9 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.503 -0.748 . . . . 0.0 109.927 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -65.09 -42.49 94.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.264 -0.897 . . . . 0.0 109.153 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 0.0 110.27 -179.669 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 4.1 pm0 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.587 0.708 . . . . 0.0 109.422 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.53 -38.81 92.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.489 -0.757 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.0 t -57.36 -45.71 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.962 -1.086 . . . . 0.0 109.875 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.03 -40.14 94.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -0.979 . . . . 0.0 109.102 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.51 -39.88 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.302 -0.873 . . . . 0.0 109.186 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.84 -39.9 95.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.377 -0.827 . . . . 0.0 109.089 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -42.73 98.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.551 -0.718 . . . . 0.0 110.045 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.84 -44.98 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.113 -0.992 . . . . 0.0 110.056 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -62.55 -32.36 73.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.106 -0.996 . . . . 0.0 109.482 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -73.58 -41.01 63.46 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.05 -1.031 . . . . 0.0 109.832 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.61 -50.48 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.328 -0.858 . . . . 0.0 111.049 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -36.11 82.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.123 -0.986 . . . . 0.0 109.317 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.75 -5.1 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 108.734 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t 42.36 71.7 0.21 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.58 -0.7 . . . . 0.0 109.926 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.3 mt -107.77 128.18 54.35 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.748 . . . . 0.0 109.593 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p -87.4 158.35 19.02 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 110.271 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.22 78.34 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.55 -0.719 . . . . 0.0 109.5 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 8.6 mtmp? -65.91 -43.49 88.02 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.43 -0.793 . . . . 0.0 110.327 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -61.69 -44.48 96.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -0.888 . . . . 0.0 110.224 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.52 -44.71 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.98 . . . . 0.0 109.377 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.14 84.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.752 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.77 -54.23 47.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.258 -0.902 . . . . 0.0 108.987 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.14 -44.03 73.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.251 -0.905 . . . . 0.0 109.842 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.73 -39.65 94.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 0.0 109.146 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.31 32.4 22.83 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 pt -123.29 168.53 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.559 -0.965 . . . . 0.0 109.976 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 m -71.57 152.65 42.76 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.858 0.837 . . . . 0.0 110.166 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HE ' ' HG2' ' A' ' 19' ' ' LYS . 72.1 mtt85 -64.79 -37.15 86.63 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.317 -0.864 . . . . 0.0 109.28 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.69 -45.27 94.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 108.893 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.84 -42.81 99.5 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.453 0.644 . . . . 0.0 109.408 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.11 -31.58 72.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.267 -0.896 . . . . 0.0 109.161 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -61.35 -45.95 92.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 109.618 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.71 -43.67 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.123 -0.985 . . . . 0.0 109.725 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -67.31 -36.82 82.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.384 -0.823 . . . . 0.0 109.994 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -78.44 12.54 1.92 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.917 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -97.24 119.82 36.45 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -92.25 -11.06 36.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.285 -0.885 . . . . 0.0 109.75 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -124.36 131.76 53.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.622 -0.674 . . . . 0.0 109.33 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.17 146.93 68.29 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.405 -0.81 . . . . 0.0 109.84 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.46 158.46 51.15 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.661 2.241 . . . . 0.0 112.917 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 44' ' ' VAL . 12.6 p -67.25 -37.25 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.444 -0.785 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 2.8 m -46.39 -42.4 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.27 -0.894 . . . . 0.0 109.465 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 53.1 t -65.52 -43.81 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 108.849 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.78 -38.25 87.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 0.0 109.119 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.531 ' OH ' ' NH2' ' B' ' 11' ' ' ARG . 23.1 t80 -60.35 -41.59 93.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.399 -0.813 . . . . 0.0 109.419 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.16 -43.45 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 0.0 108.844 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.86 77.16 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.38 -0.825 . . . . 0.0 109.358 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -60.39 -48.42 81.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.178 -0.951 . . . . 0.0 109.401 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' B' ' 7' ' ' LEU . 91.7 mt -65.1 -42.18 94.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.202 -0.936 . . . . 0.0 109.505 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.9 -34.58 78.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.36 -0.837 . . . . 0.0 108.965 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -59.01 -21.59 59.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -93.0 1.07 57.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.0 108.87 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.14 24.75 54.05 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.41 134.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.271 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.77 53.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.62 -0.675 . . . . 0.0 109.754 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.69 -10.7 59.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.313 -0.867 . . . . 0.0 108.778 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.7 -31.69 73.02 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.513 -0.742 . . . . 0.0 109.183 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.35 88.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.995 -1.065 . . . . 0.0 109.457 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.9 -39.7 93.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.0 108.843 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.28 -50.24 48.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -50.72 -40.81 55.2 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HD2' HH11 ' A' ' 64' ' ' ARG . 24.2 ttm180 -61.03 -49.79 75.97 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.601 -0.687 . . . . 0.0 109.396 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.494 1.75 0 O-C-N 121.162 -0.961 . . . . 0.0 110.839 -178.623 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 56.3 mt-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.23 -44.09 97.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.681 -0.637 . . . . 0.0 109.305 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t -66.18 -26.78 67.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.799 . . . . 0.0 109.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.73 -46.23 89.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.84 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 3.2 mp0 -70.09 -36.37 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.154 -0.966 . . . . 0.0 109.262 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 51' ' ' LEU . 36.8 tp -62.69 -42.11 99.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 108.939 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.37 -40.85 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.37 -44.45 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 109.528 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -55.34 -44.66 76.11 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.168 -0.958 . . . . 0.0 109.803 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' A' ' 47' ' ' TYR . 32.5 ttm105 -58.61 -44.94 90.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 109.303 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.5 -42.59 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.4 -0.812 . . . . 0.0 109.447 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -44.37 84.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 109.358 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 15' ' ' SER . 92.7 mt -93.73 -3.14 52.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 11' ' ' ARG . 2.9 t 41.13 78.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.352 0.596 . . . . 0.0 110.096 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.95 133.14 52.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.465 -0.772 . . . . 0.0 109.647 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.418 ' HG1' ' HB2' ' B' ' 20' ' ' SER . 82.1 p -84.8 159.54 20.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.528 -0.733 . . . . 0.0 110.159 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.98 78.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.567 -0.708 . . . . 0.0 109.497 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' B' ' 20' ' ' SER . 19.2 pttp -67.64 -43.43 80.34 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.286 -0.883 . . . . 0.0 109.947 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' B' ' 19' ' ' LYS . 68.9 m -64.83 -47.07 79.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.856 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.6 -44.11 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 110.026 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.75 98.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.434 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OE2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -66.32 -46.2 77.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.126 -0.984 . . . . 0.0 109.754 -179.444 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.439 ' OE2' ' OE1' ' B' ' 23' ' ' GLU . 75.5 mm-40 -69.8 -39.5 76.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 109.293 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -64.2 -38.28 90.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -0.849 . . . . 0.0 109.346 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.21 24.02 15.63 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.23 164.93 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.499 -1.001 . . . . 0.0 109.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.4 p -75.46 161.28 29.34 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.83 0.824 . . . . 0.0 110.538 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.13 -38.54 90.97 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.176 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.87 -38.44 90.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.374 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.69 -41.33 97.42 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 109.114 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.32 -43.09 98.79 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.0 109.602 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.66 -34.79 74.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.0 109.51 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -62.73 -39.91 95.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 109.09 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.62 -43.82 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.495 ' OE1' ' NH1' ' B' ' 11' ' ' ARG . 1.8 mt-10 -70.06 -18.49 63.28 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.96 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -85.23 -2.44 58.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 108.994 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -72.09 144.65 48.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -80.64 -80.33 0.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -99.87 172.77 7.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.404 -0.81 . . . . 0.0 109.864 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.19 149.13 40.79 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.788 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.9 154.1 71.53 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.576 2.184 . . . . 0.0 112.973 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.436 ' H ' HG22 ' B' ' 43' ' ' VAL . 4.3 m -65.69 -29.79 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.573 -0.704 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.445 HG13 ' N ' ' B' ' 45' ' ' VAL . 8.8 p -44.98 -35.92 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.318 -0.864 . . . . 0.0 109.353 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.445 ' N ' HG13 ' B' ' 44' ' ' VAL . 71.9 t -66.41 -43.17 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.479 -0.763 . . . . 0.0 109.09 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.75 -40.82 96.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -0.866 . . . . 0.0 109.646 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.96 -44.4 97.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.15 -0.969 . . . . 0.0 109.763 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.422 ' CG2' HD21 ' B' ' 58' ' ' LEU . 95.8 mt -62.36 -42.97 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.128 -0.982 . . . . 0.0 108.721 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.678 ' HB1' HH21 ' B' ' 52' ' ' ARG . . . -60.9 -35.48 76.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 0.0 109.341 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.74 -46.63 89.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.312 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.77 -41.87 99.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.942 -1.099 . . . . 0.0 109.141 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.678 HH21 ' HB1' ' B' ' 49' ' ' ALA . 2.0 tmm_? -62.69 -40.32 96.76 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.383 -0.823 . . . . 0.0 109.837 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 29.5 m -58.34 -22.58 53.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.067 -1.02 . . . . 0.0 109.508 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -86.01 3.36 42.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 108.958 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.66 19.57 67.98 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' B' ' 58' ' ' LEU . 47.4 t -60.89 146.66 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -1.158 . . . . 0.0 110.183 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.01 37.87 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.686 -0.634 . . . . 0.0 109.802 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' B' ' 56' ' ' VAL . 11.5 tp -63.15 -39.77 95.64 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.381 -0.824 . . . . 0.0 109.273 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.21 -42.05 94.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.149 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.46 83.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.421 -0.8 . . . . 0.0 110.365 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.17 -42.78 95.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.167 -0.958 . . . . 0.0 109.897 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -64.63 -43.6 93.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.908 -1.12 . . . . 0.0 109.669 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -49.83 -39.46 38.79 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.943 -1.098 . . . . 0.0 109.237 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' B' ' 64' ' ' ARG . 13.1 mtp180 -65.94 -48.4 71.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.164 -0.96 . . . . 0.0 109.009 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.497 1.879 0 O-C-N 121.618 -0.676 . . . . 0.0 110.684 -179.277 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.68 -44.81 95.3 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -71.67 -20.4 61.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.77 . . . . 0.0 109.933 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 9' ' ' VAL . 28.0 t30 -62.62 -50.72 70.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.144 -0.973 . . . . 0.0 109.803 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.58 -32.2 65.83 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.372 -0.83 . . . . 0.0 108.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.599 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.2 tt -58.49 -47.41 84.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.534 -0.728 . . . . 0.0 109.254 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 56.8 mtpt -63.6 -40.76 97.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 108.862 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.548 ' CG1' ' HE ' ' A' ' 13' ' ' ARG . 83.2 t -61.41 -45.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.649 -0.657 . . . . 0.0 109.901 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.53 -42.37 87.61 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.853 -1.154 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.506 HH11 ' CD ' ' A' ' 36' ' ' GLU . 64.5 ttt180 -60.7 -43.39 97.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.937 . . . . 0.0 109.127 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.01 -44.23 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.762 -0.586 . . . . 0.0 110.055 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.548 ' HE ' ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -62.38 -42.93 99.8 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.09 -1.006 . . . . 0.0 108.875 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.2 mt -87.53 -5.61 58.71 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ARG . 60.5 p 38.81 66.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.32 0.581 . . . . 0.0 109.878 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.9 154.31 29.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.466 -0.771 . . . . 0.0 109.939 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 p -79.04 130.88 35.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.551 -0.718 . . . . 0.0 110.135 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.26 82.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.571 -0.706 . . . . 0.0 109.846 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.01 -45.08 95.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.0 109.856 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -60.05 -45.94 91.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.149 -0.969 . . . . 0.0 109.607 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.09 -47.6 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.321 -0.862 . . . . 0.0 110.339 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.28 86.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.289 -0.882 . . . . 0.0 111.072 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.04 -48.0 69.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.941 -1.1 . . . . 0.0 110.346 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.95 -37.57 75.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.166 -0.959 . . . . 0.0 109.9 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 55.5 mmm -62.82 -38.19 89.77 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.402 -0.811 . . . . 0.0 109.421 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.27 26.32 16.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.1 pt -125.84 161.79 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.657 -0.908 . . . . 0.0 109.54 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 t -76.8 159.61 29.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.453 -0.779 . . . . 0.0 110.333 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -62.34 -34.14 76.07 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.447 -0.783 . . . . 0.0 109.274 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.41 -44.79 76.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.21 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' NE2' HG11 ' B' ' 43' ' ' VAL . 58.5 tt0 -66.89 -37.31 84.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.875 . . . . 0.0 108.976 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.07 -42.43 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.785 . . . . 0.0 109.315 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.53 -35.81 80.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 108.957 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.85 -36.91 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.104 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.54 -43.46 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.144 -0.972 . . . . 0.0 108.695 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' CD ' HH11 ' A' ' 11' ' ' ARG . 28.7 mm-40 -56.56 -34.11 66.78 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 38' ' ' SER . 55.9 tp60 -80.12 39.53 0.45 Allowed 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 37' ' ' GLN . 9.6 p -36.99 144.33 0.07 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.561 0.696 . . . . 0.0 111.029 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 40' ' ' THR . 82.9 tt0 -140.36 86.03 2.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.625 -0.672 . . . . 0.0 109.273 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 39' ' ' GLU . 5.5 m 59.93 131.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.51 0.672 . . . . 0.0 109.76 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 151.02 93.3 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.214 -0.929 . . . . 0.0 109.704 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.07 149.81 59.17 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.357 2.038 . . . . 0.0 112.55 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 43' ' ' VAL . 4.3 m -69.19 -17.24 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.576 -0.703 . . . . 0.0 110.202 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 45' ' ' VAL . 3.3 m -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.153 -0.967 . . . . 0.0 109.2 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' N ' HG23 ' A' ' 44' ' ' VAL . 73.0 t -62.44 -43.72 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.826 . . . . 0.0 109.054 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.27 -40.57 94.61 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.503 -0.748 . . . . 0.0 109.142 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -60.63 -40.89 93.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.4 -44.08 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 0.0 109.295 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.35 83.35 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.072 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' B' ' 21' ' ' VAL . 37.5 t80 -60.39 -45.65 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.441 -0.787 . . . . 0.0 109.841 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.437 HD11 HD11 ' B' ' 7' ' ' LEU . 94.7 mt -62.3 -42.5 99.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.895 . . . . 0.0 109.319 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -64.8 -19.91 66.09 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 p -62.95 -36.08 82.27 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.249 -0.907 . . . . 0.0 108.695 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.08 -6.24 42.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.332 -0.855 . . . . 0.0 109.648 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 47.04 5.53 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.035 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.14 -20.51 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.25 . . . . 0.0 109.068 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 76.97 69.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.526 0.679 . . . . 0.0 109.757 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.559 ' H ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 pt? -79.13 -6.06 55.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.53 -0.731 . . . . 0.0 109.224 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -60.99 -45.34 95.21 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.399 -0.813 . . . . 0.0 109.652 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.57 -37.31 79.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.387 -0.821 . . . . 0.0 109.821 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.51 -47.76 84.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.146 -0.971 . . . . 0.0 109.642 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -70.97 -35.43 72.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.925 . . . . 0.0 109.798 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -54.84 -45.71 74.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.209 -0.932 . . . . 0.0 110.394 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.43 -43.81 96.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.87 -1.144 . . . . 0.0 109.278 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.376 -0.828 . . . . 0.0 109.912 -179.792 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.422 0.63 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.04 -49.05 77.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.448 -0.782 . . . . 0.0 110.118 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -67.18 -42.57 84.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.569 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.1 -45.92 86.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.512 -0.743 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.421 ' O ' ' OE2' ' B' ' 10' ' ' GLU . 19.4 tt0 -66.95 -33.29 75.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.094 -1.004 . . . . 0.0 109.171 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.437 HD11 HD11 ' A' ' 51' ' ' LEU . 59.4 tp -61.16 -44.36 97.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.468 -0.77 . . . . 0.0 109.273 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.86 -36.49 83.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 108.998 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.82 -45.21 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.59 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' B' ' 6' ' ' GLU . 1.1 mp0 -58.25 -40.5 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.967 -1.083 . . . . 0.0 109.196 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' SER . 25.4 ttp180 -58.53 -45.47 88.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.239 -0.913 . . . . 0.0 109.031 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.38 -42.83 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.847 -0.533 . . . . 0.0 109.896 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -58.87 -44.26 91.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 109.674 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.69 -3.37 46.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.93 . . . . 0.0 108.687 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' ARG . 12.5 t 41.51 77.05 0.06 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.763 -0.586 . . . . 0.0 110.081 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.95 159.18 22.32 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -99.05 133.07 43.85 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.437 0.637 . . . . 0.0 109.717 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.47 86.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.473 -0.767 . . . . 0.0 109.681 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -63.12 -46.04 89.16 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.126 -0.983 . . . . 0.0 110.003 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -64.05 -49.33 72.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.974 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.444 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 92.8 t -67.17 -45.84 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.328 -0.858 . . . . 0.0 110.29 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.82 81.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.34 -0.85 . . . . 0.0 110.234 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.82 -42.7 85.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -0.996 . . . . 0.0 110.203 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -71.09 -43.01 68.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.157 -0.965 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 92.2 mtp -66.04 -39.18 89.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.948 -1.095 . . . . 0.0 109.555 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.33 27.94 7.43 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.21 161.83 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.411 -1.053 . . . . 0.0 109.356 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.2 t -73.77 156.7 37.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.536 -0.728 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -63.56 -37.9 89.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.401 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -56.2 -42.31 76.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.406 -0.809 . . . . 0.0 109.019 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -67.19 -39.39 86.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.335 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.25 -43.91 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.154 -0.966 . . . . 0.0 109.213 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -66.18 -33.1 74.99 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 108.804 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.26 -37.78 86.76 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.37 -43.84 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -65.34 -23.63 67.05 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.79 -0.09 57.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.378 -0.826 . . . . 0.0 108.99 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.9 t -56.35 141.5 41.59 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.848 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -110.29 -52.09 2.81 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.612 -0.68 . . . . 0.0 109.951 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 98.6 m -118.03 131.81 56.43 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.5 -0.75 . . . . 0.0 109.364 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.97 152.92 80.08 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.28 151.68 71.82 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.627 2.218 . . . . 0.0 112.516 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.46 HG11 ' NE2' ' A' ' 31' ' ' GLN . 16.8 m -64.96 -12.37 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.624 -0.672 . . . . 0.0 109.861 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.1 t -59.17 -42.86 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.0 109.443 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.27 -46.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.153 -0.967 . . . . 0.0 109.066 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.59 -39.06 93.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.14 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -43.27 91.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.82 -43.08 96.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.9 73.76 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.483 -0.76 . . . . 0.0 109.195 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.618 ' CZ ' ' NZ ' ' B' ' 54' ' ' LYS . 6.5 t80 -70.34 -28.32 65.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.814 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 7' ' ' LEU . 96.9 mt -73.36 -50.69 20.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.728 -1.233 . . . . 0.0 110.189 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -67.11 -21.57 65.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 109.038 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.8 m -59.26 -33.44 71.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.633 -0.667 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.618 ' NZ ' ' CZ ' ' B' ' 50' ' ' PHE . 14.6 mptt -91.32 7.52 40.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.376 -0.827 . . . . 0.0 109.4 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.26 19.72 56.51 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 51' ' ' LEU . 60.1 t -59.81 147.32 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -1.149 . . . . 0.0 109.235 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.07 47.82 0.11 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 58' ' ' LEU . 0.2 OUTLIER -62.16 -40.68 96.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.496 -0.752 . . . . 0.0 109.116 -179.351 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -59.96 -40.27 88.47 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.77 81.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.552 -0.717 . . . . 0.0 109.57 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.507 ' O ' HD23 ' B' ' 61' ' ' LEU . 1.7 tt -60.08 -49.18 78.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.207 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -70.83 -35.46 72.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.11 -0.993 . . . . 0.0 109.617 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.68 -43.34 57.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -60.94 -35.36 76.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.961 -1.087 . . . . 0.0 108.673 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.863 179.621 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 121.699 0.761 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' B' ' 65' ' ' ILE . 59.5 mt -63.9 -40.56 96.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.663 -0.648 . . . . 0.0 110.16 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -44.75 -55.79 5.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.397 -0.814 . . . . 0.0 110.213 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.5 t30 -65.56 -40.5 92.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.385 -0.822 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.77 -48.46 79.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 109.866 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.463 HD23 ' CE1' ' B' ' 47' ' ' TYR . 11.1 mp -62.92 -40.82 98.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 108.654 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.91 -39.19 91.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.44 -0.787 . . . . 0.0 109.328 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' ASN . 48.4 t -60.4 -47.24 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.334 -0.854 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -66.31 -37.23 84.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.143 -0.973 . . . . 0.0 108.748 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.4 ttt180 -61.57 -45.93 92.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.589 -0.694 . . . . 0.0 109.658 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.573 -0.704 . . . . 0.0 109.837 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 13' ' ' ARG . 41.6 ttm180 -65.77 -43.2 89.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.319 -0.863 . . . . 0.0 109.407 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.0 mt -90.12 0.8 56.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.308 -0.87 . . . . 0.0 108.932 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' ARG . 24.5 p 35.47 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.493 0.663 . . . . 0.0 110.533 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -109.15 136.66 48.27 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.524 -0.735 . . . . 0.0 109.121 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -88.06 138.97 30.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.449 -0.782 . . . . 0.0 110.48 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.34 90.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.8 -0.562 . . . . 0.0 109.805 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.33 -46.13 88.04 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.074 -1.016 . . . . 0.0 109.599 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -64.81 -46.81 80.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.73 -43.81 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -0.836 . . . . 0.0 109.665 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.11 76.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.496 -0.753 . . . . 0.0 110.148 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -68.79 -35.97 77.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.25 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -46.78 69.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.957 -1.089 . . . . 0.0 109.11 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.9 mtp -63.69 -39.18 93.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.601 -0.687 . . . . 0.0 109.409 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.02 7.12 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -125.68 162.8 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.478 -1.013 . . . . 0.0 109.66 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -71.26 151.82 43.89 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.643 0.735 . . . . 0.0 109.844 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 29' ' ' ARG . 1.9 ttp180 -60.89 -40.57 93.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.741 -0.6 . . . . 0.0 109.758 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -40.23 72.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.0 109.101 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.62 -46.51 78.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.361 -0.837 . . . . 0.0 109.399 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.4 -39.14 91.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.635 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.67 -41.37 81.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.87 . . . . 0.0 109.795 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -63.54 -43.15 97.93 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.194 -0.941 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.45 -44.09 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 109.393 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.53 -31.97 73.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.584 -0.698 . . . . 0.0 110.118 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 38' ' ' SER . 84.9 mt-30 -84.93 -4.68 59.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.997 -1.065 . . . . 0.0 109.736 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 1.4 m 163.11 115.49 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.17 120.19 41.47 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.745 0.783 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.0 p -83.05 166.7 18.54 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.211 -0.931 . . . . 0.0 109.708 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.1 109.06 60.8 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 121.424 -0.798 . . . . 0.0 109.213 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.68 163.24 29.35 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.219 1.946 . . . . 0.0 112.908 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 43' ' ' VAL . 12.4 m -62.04 -19.18 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.477 -0.764 . . . . 0.0 109.849 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.44 -43.64 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.992 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.54 -42.65 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.801 . . . . 0.0 109.238 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.71 -42.5 88.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.112 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -60.86 -47.94 84.08 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -44.05 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.442 -0.786 . . . . 0.0 109.619 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.31 99.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CZ ' ' OE2' ' B' ' 24' ' ' GLU . 46.8 t80 -62.37 -46.35 89.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.497 -0.752 . . . . 0.0 109.743 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.2 mt -63.68 -41.32 98.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.195 -0.941 . . . . 0.0 109.356 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -64.62 -36.58 84.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.406 -0.809 . . . . 0.0 109.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.8 p -59.53 -21.99 61.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 109.443 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.5 -1.61 55.4 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.26 -0.9 . . . . 0.0 109.352 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.24 24.67 58.85 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.15 -19.66 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.104 -1.233 . . . . 0.0 108.904 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 63.9 83.46 0.16 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.613 0.721 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 58' ' ' LEU . 3.7 mm? -84.47 -4.43 58.93 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 p30 -61.41 -45.0 96.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.52 -0.737 . . . . 0.0 109.184 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -66.57 -44.81 81.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.0 109.737 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.27 -46.34 87.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.232 -0.918 . . . . 0.0 109.874 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.92 -31.52 68.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.355 -0.84 . . . . 0.0 109.439 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -37.27 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 109.072 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.5 -36.36 82.28 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.4 mm . . . . . 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 109.237 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.637 0.732 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.63 -40.29 96.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.689 . . . . 0.0 109.671 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.3 t -59.24 -47.33 85.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 110.154 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -68.88 -42.22 77.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.189 -0.945 . . . . 0.0 109.782 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.443 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 42.1 mt-10 -65.75 -42.73 90.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.746 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 51' ' ' LEU . 44.1 tp -62.16 -41.57 98.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.478 -0.764 . . . . 0.0 109.196 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -62.5 -36.73 83.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 0.0 109.636 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.73 -47.12 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 109.705 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 1.7 mp0 -64.27 -38.68 91.92 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.037 -1.04 . . . . 0.0 108.806 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.56 -49.07 76.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.539 -0.726 . . . . 0.0 109.432 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.15 -43.87 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.519 -0.738 . . . . 0.0 109.472 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -60.63 -43.63 97.29 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' B' ' 15' ' ' SER . 88.1 mt -84.58 -4.14 58.82 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.423 ' C ' ' O ' ' B' ' 14' ' ' LEU . 34.8 t 38.19 74.78 0.08 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.802 -0.561 . . . . 0.0 110.376 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -101.61 134.21 45.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.282 -0.886 . . . . 0.0 109.53 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -70.72 136.45 48.97 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.637 0.732 . . . . 0.0 110.364 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.07 84.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.704 -0.623 . . . . 0.0 109.722 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.75 -46.01 91.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.771 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.64 -44.65 95.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.34 -22.7 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.374 -0.829 . . . . 0.0 109.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.34 -30.86 27.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.006 -1.059 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -68.46 -45.11 73.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.568 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.542 ' OE2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.4 -44.44 67.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.285 -0.884 . . . . 0.0 109.659 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 80.5 mtp -68.29 -36.28 79.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 109.49 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.1 48.04 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 pt -117.27 -174.44 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.505 -0.997 . . . . 0.0 109.359 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -96.6 165.0 12.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.483 -0.761 . . . . 0.0 110.286 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -63.95 -37.13 86.29 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.419 0.628 . . . . 0.0 109.367 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -57.37 -43.99 84.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 109.331 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -65.54 -43.71 89.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 47' ' ' TYR . 41.9 tp -64.74 -42.18 95.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.856 . . . . 0.0 109.173 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -33.23 75.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.438 -0.789 . . . . 0.0 109.882 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.72 -41.05 94.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.17 -0.956 . . . . 0.0 109.569 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.91 -43.71 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' B' ' 38' ' ' SER . 0.6 OUTLIER -64.19 -30.3 71.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.459 -0.775 . . . . 0.0 109.795 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -73.37 31.84 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.07 -1.019 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.527 ' H ' ' C ' ' B' ' 36' ' ' GLU . 2.0 m 57.83 81.19 0.15 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.629 -0.67 . . . . 0.0 111.034 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' B' ' 40' ' ' THR . 4.3 tm-20 -100.5 -14.45 18.24 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER 80.74 170.02 0.14 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.215 0.531 . . . . 0.0 110.092 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.77 148.47 39.99 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 0.0 109.895 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.18 160.93 41.7 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.893 2.395 . . . . 0.0 112.611 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 m -65.21 -19.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.388 -0.82 . . . . 0.0 109.714 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.07 -42.42 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.263 -0.898 . . . . 0.0 108.666 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -43.43 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 108.878 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -62.36 -37.01 84.02 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.193 -0.942 . . . . 0.0 109.806 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.463 ' CE1' HD23 ' A' ' 7' ' ' LEU . 57.9 t80 -60.29 -52.51 64.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.048 -1.033 . . . . 0.0 110.338 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 pt -63.86 -27.46 42.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.086 -1.009 . . . . 0.0 108.49 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.22 93.36 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.12 -45.04 91.95 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.99 -38.2 90.22 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.48 -21.07 65.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.269 -0.894 . . . . 0.0 109.056 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 63.4 p -58.44 -33.25 69.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.159 -0.963 . . . . 0.0 108.453 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -91.54 -0.31 57.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.74 29.38 35.46 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' B' ' 58' ' ' LEU . 83.4 t -63.38 123.79 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.322 . . . . 0.0 109.117 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.08 68.28 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.528 -0.733 . . . . 0.0 110.426 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.7 tp -65.53 -38.47 89.74 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.4 OUTLIER -45.8 -40.68 9.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.532 -0.73 . . . . 0.0 109.287 -179.364 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.11 83.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.501 -0.749 . . . . 0.0 109.93 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.07 -43.64 98.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.346 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.61 -40.91 84.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -66.53 -19.21 65.73 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.3 -0.875 . . . . 0.0 109.639 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -89.68 -23.07 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.202 -0.936 . . . . 0.0 109.866 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . 0.441 ' CD1' HD21 ' A' ' 3' ' ' LEU . 97.9 mt . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.136 -0.977 . . . . 0.0 110.46 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.635 0.731 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.4 -39.87 95.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.499 -0.75 . . . . 0.0 110.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 p -57.97 -41.04 82.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.026 -1.046 . . . . 0.0 110.292 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.504 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.1 OUTLIER -64.57 -46.9 80.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.029 -1.044 . . . . 0.0 109.835 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.23 -37.16 77.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.86 . . . . 0.0 109.168 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.39 -41.91 98.78 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.309 -0.869 . . . . 0.0 109.391 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.5 -41.66 98.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.961 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.08 -44.45 98.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.79 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -58.74 -41.77 87.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.566 HH22 ' CD ' ' A' ' 36' ' ' GLU . 36.7 ttm180 -56.58 -46.58 80.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 0.0 108.723 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.16 -42.72 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.655 -0.653 . . . . 0.0 109.412 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.1 ttm-85 -55.39 -44.97 76.62 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 0.0 110.011 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -102.78 2.51 35.68 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 108.874 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 11' ' ' ARG . 16.2 m 42.19 82.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.691 HD11 ' HZ2' ' B' ' 54' ' ' LYS . 8.3 mp -106.17 153.43 22.12 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 121.597 0.713 . . . . 0.0 109.804 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.9 p -112.35 144.16 42.24 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.459 0.647 . . . . 0.0 109.81 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.42 87.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.463 -0.773 . . . . 0.0 109.633 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -63.4 -44.31 95.05 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.003 -1.06 . . . . 0.0 109.816 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -62.18 -47.39 84.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.185 -0.947 . . . . 0.0 109.929 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.04 -43.76 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.925 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.77 95.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.401 -0.812 . . . . 0.0 110.499 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -68.24 -40.29 82.05 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.008 -1.058 . . . . 0.0 109.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -72.97 -43.31 62.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 109.943 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.9 mmm -64.84 -39.15 93.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 109.966 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.83 23.13 14.06 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -124.73 162.85 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.225 0 O-C-N 121.44 -1.035 . . . . 0.0 109.928 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.4 p -79.07 166.29 22.46 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 110.008 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' H ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.48 -35.66 81.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.466 -0.771 . . . . 0.0 108.935 179.411 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.64 -45.47 77.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.262 -0.899 . . . . 0.0 109.459 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -64.01 -43.25 96.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.347 -0.846 . . . . 0.0 109.071 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.49 -39.84 95.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.422 -0.799 . . . . 0.0 108.977 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.41 74.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 109.82 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -61.89 -41.07 97.46 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.317 -0.864 . . . . 0.0 109.139 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.1 -44.33 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.313 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.566 ' CD ' HH22 ' A' ' 11' ' ' ARG . 69.8 tt0 -69.48 -13.01 62.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.0 108.552 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -72.02 38.37 0.07 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.861 -1.149 . . . . 0.0 109.381 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' GLU . 47.1 t 48.45 -105.42 0.15 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.451 -0.781 . . . . 0.0 110.887 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 38' ' ' SER . 64.3 mm-40 59.17 142.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.879 0.847 . . . . 0.0 110.086 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -62.56 139.55 58.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.59 0.71 . . . . 0.0 110.069 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.32 93.29 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.533 -0.73 . . . . 0.0 110.024 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.53 154.79 72.15 Favored 'Trans proline' 0 N--CA 1.502 1.996 0 C-N-CA 123.023 2.482 . . . . 0.0 113.183 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.36 -23.44 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 110.125 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 3.1 m -58.64 -40.43 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.904 -1.123 . . . . 0.0 108.975 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 51.7 t -63.06 -44.26 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.409 -0.807 . . . . 0.0 109.212 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -61.62 -41.23 97.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.377 -0.827 . . . . 0.0 108.807 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -44.29 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 108.813 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.81 -42.84 97.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.425 -0.797 . . . . 0.0 109.038 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.68 68.15 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.21 -0.931 . . . . 0.0 109.587 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 6.3 t80 -62.32 -45.7 92.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 108.97 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.69 -36.71 81.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.245 -0.91 . . . . 0.0 109.281 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.81 -40.57 88.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.6 m -55.17 -30.42 59.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.538 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 14.6 mptt -83.13 2.6 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.279 -0.888 . . . . 0.0 109.014 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.09 24.78 60.9 Favored Glycine 0 N--CA 1.492 2.404 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.64 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.66 135.33 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.788 -1.419 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 1.2 p30 -76.85 93.71 3.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 0.0 110.075 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.25 -12.83 51.59 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 32.9 p-10 -63.44 -45.61 90.09 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -0.828 . . . . 0.0 110.116 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -70.72 -40.63 72.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.123 -0.986 . . . . 0.0 110.249 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.9 tt -62.36 -48.39 80.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.908 . . . . 0.0 109.816 -178.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.18 -35.59 74.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.36 -0.838 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.6 -48.53 80.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.951 -1.093 . . . . 0.0 111.645 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -62.61 -41.95 99.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.595 -1.316 . . . . 0.0 110.153 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.3 -1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.157 -179.215 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 28.0 tt0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.264 0.554 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 2' ' ' GLU . 47.7 tp -60.3 -44.7 95.18 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.455 -0.778 . . . . 0.0 110.293 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t -61.29 -34.61 75.49 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -61.45 -43.86 98.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 111.387 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 26.1 mp0 -69.77 -43.24 72.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.712 -1.243 . . . . 0.0 110.254 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.96 -39.71 93.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.958 -1.089 . . . . 0.0 109.032 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.95 -45.11 95.09 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.104 -0.998 . . . . 0.0 109.794 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.0 -45.88 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.23 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.619 ' CD ' HH21 ' B' ' 13' ' ' ARG . 74.4 mm-40 -62.58 -37.6 86.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 109.308 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' B' ' 15' ' ' SER . 8.9 ttt180 -60.69 -42.71 97.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.83 -44.49 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.486 -0.759 . . . . 0.0 109.519 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.619 HH21 ' CD ' ' B' ' 10' ' ' GLU . 56.3 mtm180 -65.13 -40.46 94.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.415 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 15' ' ' SER . 86.3 mt -89.59 -5.8 56.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 11' ' ' ARG . 60.1 p 38.97 61.13 1.31 Allowed 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.145 0.498 . . . . 0.0 109.859 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.8 mt -104.32 125.25 50.4 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.486 -0.758 . . . . 0.0 109.526 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 p -87.64 162.91 16.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.353 -0.842 . . . . 0.0 110.528 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.98 81.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.688 -0.632 . . . . 0.0 109.506 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.97 -44.87 95.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.068 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.9 t -61.63 -48.03 82.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -0.966 . . . . 0.0 110.221 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.07 -43.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.7 -30.28 70.65 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.352 -0.842 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.054 -1.029 . . . . 0.0 108.876 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.23 -46.65 17.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 109.534 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -65.0 -39.58 93.67 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.596 -0.69 . . . . 0.0 109.485 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.43 31.84 26.67 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.61 168.21 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.465 -1.021 . . . . 0.0 109.863 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -68.98 152.77 44.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -63.96 -39.23 93.67 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -40.43 91.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.505 -0.747 . . . . 0.0 109.77 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -58.36 -41.98 85.91 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.266 -0.896 . . . . 0.0 109.391 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.2 -41.52 99.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.195 -0.941 . . . . 0.0 108.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.44 -33.68 74.13 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.37 -0.831 . . . . 0.0 109.182 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.65 -38.54 90.7 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.422 -0.799 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.59 -44.15 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.188 -0.945 . . . . 0.0 108.936 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.52 -30.61 64.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -93.81 12.57 25.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.226 -0.921 . . . . 0.0 109.565 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -68.77 155.4 40.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.481 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.28 -37.47 77.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.518 -0.739 . . . . 0.0 109.908 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.606 HG22 ' N ' ' B' ' 41' ' ' ALA . 86.0 m -166.52 166.9 16.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.988 -1.07 . . . . 0.0 109.577 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.606 ' N ' HG22 ' B' ' 40' ' ' THR . . . -84.8 153.33 60.68 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 109.407 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.95 155.32 64.94 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.775 2.317 . . . . 0.0 112.793 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.21 -27.14 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.408 -0.808 . . . . 0.0 110.382 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.434 HG13 ' N ' ' B' ' 45' ' ' VAL . 9.7 p -53.98 -37.11 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.065 -1.022 . . . . 0.0 109.103 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.434 ' N ' HG13 ' B' ' 44' ' ' VAL . 69.4 t -64.08 -44.33 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.338 -0.851 . . . . 0.0 108.952 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.35 -38.03 87.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.302 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -59.15 -48.56 81.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.0 108.796 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.15 -42.06 94.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -37.28 67.47 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.436 -0.79 . . . . 0.0 109.027 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.57 -45.1 95.18 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.4 -41.44 98.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.604 -0.685 . . . . 0.0 109.316 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.44 HH21 ' HA2' ' B' ' 55' ' ' GLY . 0.8 OUTLIER -66.92 -25.88 66.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.046 -1.034 . . . . 0.0 109.087 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -63.91 -23.16 67.24 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.057 -1.027 . . . . 0.0 109.146 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.691 ' HZ2' HD11 ' A' ' 16' ' ' LEU . 98.3 mttt -93.77 2.11 56.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.028 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . 0.44 ' HA2' HH21 ' B' ' 52' ' ' ARG . . . 86.02 25.92 36.0 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.9 t -68.6 129.99 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.787 -1.419 . . . . 0.0 109.089 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -58.25 100.15 0.06 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.411 -0.805 . . . . 0.0 111.07 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -15.88 28.19 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.567 ' OD1' ' N ' ' B' ' 60' ' ' ALA . 31.9 p30 -66.03 -39.78 90.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.274 -0.891 . . . . 0.0 110.498 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.567 ' N ' ' OD1' ' B' ' 59' ' ' ASN . . . -83.36 -31.58 26.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.129 -0.982 . . . . 0.0 109.833 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.7 -44.08 97.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.111 -0.993 . . . . 0.0 109.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.84 -33.14 24.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.356 -0.84 . . . . 0.0 110.967 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.56 -42.7 99.23 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.864 -1.148 . . . . 0.0 110.377 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -62.12 -40.88 97.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.963 . . . . 0.0 109.715 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.802 0.81 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.71 -41.97 98.02 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.669 0.747 . . . . 0.0 110.27 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.4 m -60.21 -40.38 89.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.627 0.727 . . . . 0.0 110.338 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.86 -41.27 99.31 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.459 -0.776 . . . . 0.0 110.382 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.492 ' OE1' HD11 ' B' ' 61' ' ' LEU . 35.0 mt-10 -66.8 -35.87 81.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.333 -0.855 . . . . 0.0 109.938 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.74 -43.27 99.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.33 -0.856 . . . . 0.0 110.052 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.99 -40.25 87.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.742 . . . . 0.0 109.764 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.55 -44.76 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.445 -0.784 . . . . 0.0 109.885 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' A' ' 13' ' ' ARG . 46.8 mm-40 -60.77 -42.05 96.71 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.276 -0.89 . . . . 0.0 109.13 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' NH2' ' OE2' ' A' ' 36' ' ' GLU . 3.1 tpp85 -63.99 -47.93 78.42 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.162 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.26 -43.19 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.555 0.693 . . . . 0.0 109.755 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 54.3 ttp180 -61.63 -41.17 97.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.738 0.78 . . . . 0.0 109.002 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 HG22 ' B' ' 56' ' ' VAL . 44.5 mt -85.36 -6.49 59.23 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.808 0.813 . . . . 0.0 108.853 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t 42.1 70.65 0.26 Allowed 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.719 0.771 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.49 135.32 49.16 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.673 0.749 . . . . 0.0 110.026 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -80.05 147.91 31.29 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.79 0.805 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -36.31 66.51 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.596 0.712 . . . . 0.0 109.589 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.21 -47.61 85.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.631 -0.668 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -63.97 -47.61 79.72 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.476 0.655 . . . . 0.0 109.902 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.18 -43.95 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.69 0.757 . . . . 0.0 109.796 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.41 77.07 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.559 0.695 . . . . 0.0 109.525 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.05 -46.56 80.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.651 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.88 55.77 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.091 -1.005 . . . . 0.0 109.538 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.42 -40.45 93.35 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.66 0.743 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.42 30.26 11.06 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.94 167.56 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.493 -1.004 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -74.23 158.14 34.62 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.98 0.895 . . . . 0.0 110.306 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -64.24 -35.7 81.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.87 -39.9 94.28 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 121.558 0.694 . . . . 0.0 109.278 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -58.24 -44.34 88.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.47 -0.769 . . . . 0.0 109.006 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.16 -43.81 94.05 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.755 0.788 . . . . 0.0 109.115 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -34.48 78.2 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.871 0.843 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.05 -36.53 84.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.635 0.731 . . . . 0.0 109.127 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.13 -42.77 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.534 -0.729 . . . . 0.0 109.237 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.52 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 82.9 mt-10 -61.55 -35.21 77.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.411 -0.806 . . . . 0.0 109.715 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.63 3.58 47.18 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.307 -0.871 . . . . 0.0 109.385 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 t -66.08 144.25 56.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.393 -0.817 . . . . 0.0 110.458 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.5 -93.22 0.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.63 0.728 . . . . 0.0 109.648 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 41' ' ' ALA . 67.0 m -81.59 164.12 22.12 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.673 0.749 . . . . 0.0 110.38 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.558 ' N ' HG22 ' A' ' 40' ' ' THR . . . -91.07 158.68 41.21 Favored Pre-proline 0 N--CA 1.492 1.67 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.37 160.82 47.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.608 2.205 . . . . 0.0 112.834 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.76 -21.29 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.458 0.646 . . . . 0.0 109.549 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.61 -44.92 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.453 -0.779 . . . . 0.0 109.402 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.94 -41.79 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.606 -0.684 . . . . 0.0 109.433 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.06 -43.0 99.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.52 -0.737 . . . . 0.0 109.686 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' B' ' 32' ' ' LEU . 49.1 t80 -62.53 -42.9 99.82 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.117 0.961 . . . . 0.0 109.006 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.26 -42.31 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.91 71.29 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 11.9 t80 -60.8 -47.32 86.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.269 -0.894 . . . . 0.0 108.724 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -65.85 -38.34 88.58 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.82 0.819 . . . . 0.0 109.253 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HE ' ' CD1' ' A' ' 58' ' ' LEU . 9.8 tpp85 -61.58 -45.48 93.92 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.566 0.698 . . . . 0.0 110.784 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.3 t -57.05 -16.73 7.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.485 -0.759 . . . . 0.0 110.25 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.556 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 62.3 mttp -99.79 11.4 39.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.161 -0.962 . . . . 0.0 109.358 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.24 34.38 85.54 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.42 -20.97 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.972 -1.31 . . . . 0.0 109.29 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.14 103.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.839 0.828 . . . . 0.0 110.253 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.525 ' CD1' ' HE ' ' A' ' 52' ' ' ARG . 15.2 mt -91.57 -2.42 57.14 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -60.95 -44.69 96.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.473 -0.767 . . . . 0.0 109.597 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.48 67.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.462 -0.774 . . . . 0.0 109.879 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 61' ' ' LEU . 2.2 tt -62.1 -55.32 30.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.392 -0.817 . . . . 0.0 110.453 -178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -70.23 -37.27 74.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.455 -0.778 . . . . 0.0 110.435 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -55.21 -34.19 63.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -62.54 -50.57 70.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.351 -0.843 . . . . 0.0 110.174 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.856 . . . . 0.0 109.959 -179.82 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 122.028 0.918 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.15 -41.79 99.34 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.447 0.641 . . . . 0.0 109.944 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 77.6 p -62.75 -43.77 97.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.52 -0.737 . . . . 0.0 109.862 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . 0.439 ' O ' HG23 ' B' ' 9' ' ' VAL . 8.9 t30 -72.75 -46.54 52.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.46 -0.775 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.456 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 2.4 tt0 -66.88 -43.13 84.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.61 -42.29 98.67 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.626 0.727 . . . . 0.0 109.845 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.26 -40.14 95.39 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 5' ' ' ASN . 45.6 t -59.61 -44.03 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.607 -0.683 . . . . 0.0 109.875 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 4.1 mp0 -63.31 -35.82 81.63 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.219 -0.926 . . . . 0.0 109.708 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' B' ' 15' ' ' SER . 9.7 ttm180 -59.66 -42.13 92.13 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.25 -0.907 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.84 -42.03 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 109.001 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -51.13 -44.55 61.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 0.0 108.634 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 mt -98.91 0.39 43.99 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.475 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.3 m 39.2 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.495 0.664 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -109.11 133.31 53.17 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.721 0.772 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p -84.96 153.29 22.89 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.854 0.835 . . . . 0.0 110.014 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.2 -36.99 80.43 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.727 0.775 . . . . 0.0 109.612 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.01 -41.98 99.72 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.488 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 72.3 m -60.49 -47.14 87.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 109.357 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.1 t -64.81 -44.73 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.379 -0.826 . . . . 0.0 109.826 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' B' ' 27' ' ' ILE . . . -65.07 -24.72 67.54 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 109.371 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.65 -44.71 81.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.433 -0.792 . . . . 0.0 109.505 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.7 -55.31 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.784 0.802 . . . . 0.0 110.105 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mtp -65.3 -40.45 93.81 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.591 0.71 . . . . 0.0 109.709 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.79 5.55 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.445 ' O ' ' HB1' ' B' ' 22' ' ' ALA . 34.7 pt -123.26 162.82 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.621 -0.929 . . . . 0.0 109.994 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -67.54 150.06 49.32 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 122.108 0.956 . . . . 0.0 110.296 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 mtm-85 -63.54 -37.23 86.54 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.265 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.53 -37.27 86.96 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.699 0.762 . . . . 0.0 109.063 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.1 -39.93 87.88 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.645 0.736 . . . . 0.0 109.024 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 47' ' ' TYR . 13.9 tp -63.72 -41.2 98.11 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.789 0.804 . . . . 0.0 109.62 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 89.4 m -63.77 -34.87 78.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 109.578 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.87 -40.39 95.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.428 -0.795 . . . . 0.0 109.18 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.7 -43.37 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.768 . . . . 0.0 109.406 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.421 ' CD ' HH21 ' B' ' 11' ' ' ARG . 28.5 tp10 -68.19 -30.98 70.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.602 -0.687 . . . . 0.0 109.749 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -85.19 0.28 52.29 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.289 -0.882 . . . . 0.0 109.655 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 56.4 m -88.09 117.6 27.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.24 -0.913 . . . . 0.0 109.905 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -95.34 -9.78 31.96 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.2 p -106.84 135.72 47.91 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.418 -0.801 . . . . 0.0 109.771 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.96 150.01 39.86 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.886 -0.509 . . . . 0.0 109.921 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.85 160.11 50.43 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 123.081 2.521 . . . . 0.0 113.216 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -64.46 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.392 0.615 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -48.34 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.304 -0.873 . . . . 0.0 109.929 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.2 -43.5 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.402 -0.811 . . . . 0.0 109.559 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -62.07 -39.57 92.87 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.715 0.769 . . . . 0.0 109.209 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.418 ' OH ' ' NE ' ' A' ' 11' ' ' ARG . 68.8 t80 -62.09 -42.02 98.79 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.76 0.791 . . . . 0.0 109.438 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.27 -42.96 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 121.84 0.828 . . . . 0.0 108.901 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.12 74.21 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.616 0.722 . . . . 0.0 109.578 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.19 -40.6 96.57 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.66 -40.76 88.81 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.269 -0.894 . . . . 0.0 108.637 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 52' ' ' ARG . 11.3 tpt180 -60.7 -35.79 77.17 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.275 -0.891 . . . . 0.0 108.751 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -56.06 -21.49 22.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 108.84 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -99.39 -3.73 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 38.17 24.26 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.466 HG22 HD11 ' A' ' 14' ' ' LEU . 49.1 t -71.37 -19.71 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.266 -1.138 . . . . 0.0 109.217 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.28 67.47 0.94 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.445 0.641 . . . . 0.0 109.962 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 5.94 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.943 . . . . 0.0 109.062 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.04 -42.17 98.9 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.874 0.845 . . . . 0.0 108.985 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.714 ' HB1' HH21 ' B' ' 64' ' ' ARG . . . -79.31 -22.09 45.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.551 -0.718 . . . . 0.0 109.376 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 6' ' ' GLU . 55.9 tp -63.59 -49.42 73.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.497 -0.752 . . . . 0.0 109.895 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -72.17 -42.94 65.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 109.385 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.01 -19.24 51.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 108.399 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.714 HH21 ' HB1' ' B' ' 60' ' ' ALA . 4.1 tpp85 -66.45 -42.33 87.78 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.838 0.828 . . . . 0.0 109.086 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.49 1.569 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 -178.51 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.521 0.677 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -61.28 -51.71 67.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.514 -0.741 . . . . 0.0 110.25 -178.55 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -68.35 -32.69 72.97 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.784 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.39 -42.97 98.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.677 -0.639 . . . . 0.0 110.211 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 40.5 mt-10 -66.11 -38.54 88.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' B' ' 51' ' ' LEU . 37.2 tp -62.96 -40.96 99.29 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.456 0.646 . . . . 0.0 109.808 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.96 -37.54 87.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.481 -0.762 . . . . 0.0 109.638 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.36 -44.99 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.749 -0.595 . . . . 0.0 109.68 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 1.3 mp0 -67.14 -38.82 86.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.576 -0.702 . . . . 0.0 109.19 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 36' ' ' GLU . 62.1 ttp180 -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.58 -41.95 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.508 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 13' ' ' ARG . 14.9 ttm180 -58.47 -43.77 89.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.51 -0.744 . . . . 0.0 109.341 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' SER . 97.6 mt -92.05 -3.61 55.55 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LEU . 32.3 t 39.82 70.6 0.22 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.79 0.805 . . . . 0.0 110.163 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -103.75 134.9 46.29 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.822 0.82 . . . . 0.0 110.227 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -74.81 138.49 42.63 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 122.015 0.912 . . . . 0.0 109.895 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.74 -37.29 87.1 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.381 0.61 . . . . 0.0 109.536 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' H ' HH21 ' A' ' 29' ' ' ARG . 88.2 tttt -62.76 -43.49 98.66 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.325 0.583 . . . . 0.0 109.726 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -60.23 -50.26 74.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.539 -0.725 . . . . 0.0 110.148 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.53 -42.71 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.686 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.38 85.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.638 -0.664 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -67.85 -39.14 83.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.544 -0.722 . . . . 0.0 109.765 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.22 -41.71 85.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.444 -0.785 . . . . 0.0 109.692 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mtp -66.14 -37.83 86.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.728 -0.608 . . . . 0.0 109.541 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.62 15.2 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -126.21 165.37 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.655 -0.909 . . . . 0.0 110.038 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -87.49 171.09 10.79 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.818 0.818 . . . . 0.0 109.982 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.483 HH21 ' H ' ' A' ' 19' ' ' LYS . 62.6 mtt180 -62.17 -36.07 80.74 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.289 0.566 . . . . 0.0 109.702 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -46.37 -51.06 15.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.56 -0.712 . . . . 0.0 109.453 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -71.23 -37.03 72.04 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.533 0.682 . . . . 0.0 109.826 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.18 -43.32 99.1 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.594 0.711 . . . . 0.0 109.815 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.12 -36.03 77.07 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.492 0.663 . . . . 0.0 109.754 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -64.15 -38.62 91.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.759 -0.588 . . . . 0.0 109.758 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -62.51 -43.18 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.583 -0.698 . . . . 0.0 109.761 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 19.3 tt0 -61.35 -35.31 77.07 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.39 19.47 0.98 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.561 ' O ' ' N ' ' A' ' 40' ' ' THR . 69.7 m -80.03 -5.6 56.1 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 53.47 -78.18 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.232 0.539 . . . . 0.0 110.41 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 38' ' ' SER . 64.6 p -96.11 165.67 12.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.73 0.776 . . . . 0.0 109.964 -179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.43 161.36 34.75 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.753 -0.592 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.01 150.18 48.13 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.43 2.086 . . . . 0.0 112.764 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.08 -20.64 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.577 -0.702 . . . . 0.0 109.371 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 t -64.65 -42.28 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.508 -0.745 . . . . 0.0 109.05 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.11 -45.1 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.43 -36.79 83.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.576 -0.703 . . . . 0.0 109.213 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.35 -53.55 56.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.632 -0.667 . . . . 0.0 109.686 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 pt -67.1 -28.53 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.363 -0.836 . . . . 0.0 109.126 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.16 84.46 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 73.6 t80 -61.68 -45.37 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -38.43 91.08 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -61.91 -40.73 96.47 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.676 -0.64 . . . . 0.0 109.363 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.6 p -62.46 -21.52 65.51 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.546 -0.721 . . . . 0.0 109.118 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 30.7 mmtp -84.17 6.73 21.39 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.99 13.14 78.25 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.79 134.0 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.311 -1.111 . . . . 0.0 109.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -70.1 79.6 0.5 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 122.059 0.933 . . . . 0.0 109.709 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.9 tp -92.33 -33.39 14.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.407 ' HB2' HH22 ' B' ' 52' ' ' ARG . 4.3 p30 -62.33 -47.06 85.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.561 -0.712 . . . . 0.0 109.989 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.69 74.97 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.633 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.98 -44.55 91.61 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.695 -0.628 . . . . 0.0 109.552 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' ILE . 8.2 m-85 -73.13 -50.38 23.01 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.551 -0.718 . . . . 0.0 109.875 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -41.22 -37.52 0.95 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.771 -0.581 . . . . 0.0 110.915 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' HB3' HH11 ' A' ' 64' ' ' ARG . 0.0 OUTLIER -82.37 -25.07 34.14 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.724 -1.235 . . . . 0.0 110.051 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' PHE . 5.0 mm . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.638 -0.664 . . . . 0.0 109.588 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 121.61 0.719 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.13 -45.48 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.648 -0.658 . . . . 0.0 110.053 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -65.51 -37.78 87.77 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.468 0.652 . . . . 0.0 109.371 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . 0.44 HD22 ' C ' ' B' ' 5' ' ' ASN . 0.4 OUTLIER -64.81 -45.62 85.46 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -70.72 -38.77 73.63 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.518 0.675 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.73 -41.72 98.0 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.557 0.694 . . . . 0.0 109.507 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.73 -39.88 95.48 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 5' ' ' ASN . 62.1 t -62.03 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.282 0.563 . . . . 0.0 109.514 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.1 -42.28 65.78 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' B' ' 15' ' ' SER . 59.8 ttt180 -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.699 -0.626 . . . . 0.0 109.507 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.7 -42.61 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.694 -0.629 . . . . 0.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -60.26 -43.5 96.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.46 -0.775 . . . . 0.0 109.334 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.9 mt -92.1 -4.05 54.88 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.457 ' N ' ' O ' ' B' ' 11' ' ' ARG . 15.6 m 40.15 51.63 2.69 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.86 0.838 . . . . 0.0 110.216 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.78 144.3 35.27 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.744 0.783 . . . . 0.0 110.209 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -92.92 139.28 30.7 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.799 0.809 . . . . 0.0 109.704 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.47 77.66 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.8 -44.79 95.22 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.386 0.613 . . . . 0.0 109.576 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -61.19 -49.08 78.63 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.395 0.617 . . . . 0.0 110.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.95 -45.0 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.442 -0.786 . . . . 0.0 109.927 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.96 69.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.1 88.47 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.592 0.71 . . . . 0.0 109.183 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.38 -46.87 37.6 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.69 0.757 . . . . 0.0 109.458 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -64.87 -39.32 93.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 32.07 36.06 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.1 pt -119.12 163.63 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.645 -0.915 . . . . 0.0 109.798 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m -66.58 149.39 50.54 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.912 0.863 . . . . 0.0 110.075 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -62.12 -33.2 74.02 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.321 0.582 . . . . 0.0 109.566 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.35 -44.21 92.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.602 -0.686 . . . . 0.0 109.557 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.94 -43.07 89.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.689 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.33 -41.11 96.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.533 -0.729 . . . . 0.0 109.876 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.73 -36.42 76.54 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.456 0.646 . . . . 0.0 109.759 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 38' ' ' SER . 4.6 m120 -63.4 -40.45 97.23 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.309 0.576 . . . . 0.0 110.157 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.85 -43.73 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.789 -0.569 . . . . 0.0 109.611 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -66.92 -31.83 72.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.613 -0.679 . . . . 0.0 109.354 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -96.28 -7.1 36.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.387 -0.821 . . . . 0.0 109.415 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 34' ' ' ASN . 33.0 t -61.9 150.21 38.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.869 0.842 . . . . 0.0 110.332 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.2 -118.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.304 0.573 . . . . 0.0 110.031 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -87.56 169.25 12.34 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.954 0.883 . . . . 0.0 110.965 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.417 ' HB1' HG21 ' B' ' 45' ' ' VAL . . . -78.11 155.93 79.58 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.8 159.61 53.05 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.65 2.233 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.18 -16.83 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.64 -43.93 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.491 0.662 . . . . 0.0 109.623 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.417 HG21 ' HB1' ' B' ' 41' ' ' ALA . 54.2 t -62.35 -41.82 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 CA-C-O 121.493 0.664 . . . . 0.0 109.618 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -57.93 -40.92 81.61 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.51 -0.744 . . . . 0.0 109.246 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.52 -43.75 98.31 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.767 0.794 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.469 HG23 HD13 ' B' ' 58' ' ' LEU . 86.1 mt -63.49 -42.96 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-O 121.483 0.659 . . . . 0.0 109.705 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.16 73.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.631 -0.668 . . . . 0.0 109.585 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.624 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 13.3 t80 -61.13 -48.33 82.11 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 7' ' ' LEU . 92.4 mt -64.62 -39.45 93.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.407 HH22 ' HB2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -60.16 -40.93 91.64 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.399 0.619 . . . . 0.0 109.384 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t -58.0 -33.3 68.78 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.624 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 63.3 mttp -79.05 1.17 24.97 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.634 0.731 . . . . 0.0 109.065 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.76 88.11 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 57' ' ' ASP . 52.4 t -64.13 -21.0 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.504 -0.998 . . . . 0.0 109.069 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' B' ' 56' ' ' VAL . 10.1 t70 75.93 43.64 0.16 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.886 0.85 . . . . 0.0 108.824 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.469 HD13 HG23 ' B' ' 48' ' ' ILE . 5.5 tt -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.377 0.608 . . . . 0.0 109.881 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -44.24 -40.73 5.36 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.391 -0.818 . . . . 0.0 109.547 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.23 64.24 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.791 0.805 . . . . 0.0 109.243 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 58' ' ' LEU . 47.0 tp -60.27 -41.65 93.71 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -72.0 -41.98 66.98 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.603 -0.686 . . . . 0.0 110.795 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -51.59 -43.5 62.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.527 -0.733 . . . . 0.0 110.13 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.574 -0.704 . . . . 0.0 110.119 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 N--CA 1.503 2.176 0 O-C-N 121.306 -0.871 . . . . 0.0 109.369 179.685 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.362 0.601 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.42 -44.73 95.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.323 -0.861 . . . . 0.0 110.066 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 -39.27 78.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 110.467 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.7 t-20 -64.3 -42.39 96.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 0.0 109.955 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.27 -37.95 78.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.304 -0.873 . . . . 0.0 109.232 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -41.73 98.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.548 -0.72 . . . . 0.0 109.309 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -69.06 -42.07 76.73 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.885 -1.134 . . . . 0.0 109.988 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 5' ' ' ASN . 28.3 t -48.27 -64.46 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.112 -0.993 . . . . 0.0 110.506 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.626 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.43 -44.83 76.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.358 -0.839 . . . . 0.0 109.841 -179.033 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.8 -42.96 94.56 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.336 -0.852 . . . . 0.0 109.148 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.55 -43.39 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.817 -0.552 . . . . 0.0 109.906 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HE ' ' HA ' ' A' ' 10' ' ' GLU . 60.3 mtm180 -54.72 -43.74 72.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 109.609 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' SER . 90.6 mt -87.82 -0.89 57.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 108.6 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . 16.8 m 36.32 66.65 0.37 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.346 0.593 . . . . 0.0 110.225 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 85.0 mt -81.69 132.69 35.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.541 -0.724 . . . . 0.0 109.536 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -81.07 147.27 30.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.287 -0.883 . . . . 0.0 110.307 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.67 93.9 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.664 -0.648 . . . . 0.0 109.844 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -64.58 -45.76 85.63 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -64.96 -46.75 80.21 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.22 -0.925 . . . . 0.0 109.857 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -67.06 -47.21 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.354 -0.841 . . . . 0.0 110.021 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.79 94.99 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.0 110.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.09 -46.87 69.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 110.117 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -67.62 -49.03 65.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.386 -0.821 . . . . 0.0 110.01 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.91 -38.33 82.8 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.242 -0.911 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.95 44.01 4.9 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.7 pt -127.17 162.22 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.521 -0.988 . . . . 0.0 110.13 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -74.42 150.66 39.87 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.449 -0.782 . . . . 0.0 110.036 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -36.02 82.25 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -41.13 82.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.928 . . . . 0.0 109.129 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.35 -39.95 94.9 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.327 -0.858 . . . . 0.0 109.136 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.69 -45.9 90.65 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -37.27 84.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.97 -43.16 99.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.396 -0.815 . . . . 0.0 109.478 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.23 -42.95 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.0 109.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.19 -37.82 70.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.53 -0.731 . . . . 0.0 110.295 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -95.16 -3.9 47.02 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.121 -0.987 . . . . 0.0 109.372 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 147.79 45.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -0.898 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.5 31.12 1.5 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.661 -0.649 . . . . 0.0 109.281 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.92 108.09 6.07 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.262 -0.899 . . . . 0.0 109.075 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 150.96 94.0 Favored Pre-proline 0 N--CA 1.488 1.443 0 O-C-N 121.428 -0.795 . . . . 0.0 109.417 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.51 155.32 63.7 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.264 1.976 . . . . 0.0 112.958 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.64 -21.48 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.596 -0.69 . . . . 0.0 109.347 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.22 -44.17 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.39 -45.19 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.254 -0.904 . . . . 0.0 109.23 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.73 -40.78 98.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.26 -45.59 92.74 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.87 -43.03 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.232 0.539 . . . . 0.0 109.669 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.19 73.77 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.321 -0.862 . . . . 0.0 109.261 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.89 -47.38 85.23 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 51' ' ' LEU . 96.0 mt -65.7 -40.45 92.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.429 -0.794 . . . . 0.0 109.598 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -64.44 -36.65 84.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.147 -0.971 . . . . 0.0 109.749 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.0 p -59.79 -21.94 61.49 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.349 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -89.31 3.05 53.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.035 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.64 23.1 60.75 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.52 131.74 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.059 -1.259 . . . . 0.0 109.954 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.17 54.38 0.87 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.397 -0.814 . . . . 0.0 109.755 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp -77.98 -24.14 48.13 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -35.52 80.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.365 -0.835 . . . . 0.0 108.837 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.4 89.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.397 -0.815 . . . . 0.0 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -41.79 96.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.53 -36.84 83.86 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.166 -0.958 . . . . 0.0 110.425 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.43 -33.15 73.24 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.814 -1.179 . . . . 0.0 109.815 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.873 . . . . 0.0 110.472 -179.16 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 14.7 mt-10 . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.51 0.671 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.68 -43.14 97.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.484 -0.76 . . . . 0.0 109.769 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -55.86 -37.59 68.97 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.32 -0.862 . . . . 0.0 110.686 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . 0.4 ' O ' HG23 ' B' ' 9' ' ' VAL . 0.4 OUTLIER -60.57 -45.96 91.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.943 -1.098 . . . . 0.0 111.012 -178.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 6' ' ' GLU . 1.1 mp0 -69.21 -48.22 62.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.749 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.233 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -54.95 -42.36 72.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.771 . . . . 0.0 110.112 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 5' ' ' ASN . 67.1 t -60.53 -47.82 91.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.194 -0.942 . . . . 0.0 109.707 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.34 -30.84 65.11 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.784 -1.198 . . . . 0.0 109.35 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -61.39 -37.47 83.52 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.402 ' HA ' HH12 ' B' ' 11' ' ' ARG . 80.7 mt -85.01 -42.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.418 -0.801 . . . . 0.0 109.82 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -59.27 -42.14 90.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.082 -1.011 . . . . 0.0 108.64 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.05 -2.84 53.11 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m 41.01 82.77 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.278 0.561 . . . . 0.0 110.632 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.68 137.41 34.79 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.807 0.813 . . . . 0.0 109.775 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -94.46 123.58 37.97 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.674 0.75 . . . . 0.0 109.437 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.91 83.95 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.614 -0.679 . . . . 0.0 110.113 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.23 -0.919 . . . . 0.0 110.436 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -66.58 -46.62 75.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.156 -0.965 . . . . 0.0 109.998 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.75 -45.45 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.498 -0.751 . . . . 0.0 109.646 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.45 98.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.553 -0.717 . . . . 0.0 110.315 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.1 -49.5 71.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.197 -0.94 . . . . 0.0 109.674 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.86 -41.67 82.51 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.309 -0.869 . . . . 0.0 109.421 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -66.42 -39.34 88.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.501 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.55 11.02 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 27' ' ' ILE . 19.5 pt -127.02 165.85 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.355 -1.085 . . . . 0.0 110.1 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -74.14 153.26 39.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.449 -0.782 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -63.37 -36.06 82.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.609 -0.682 . . . . 0.0 109.745 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.91 -41.81 96.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.609 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.82 -41.42 97.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.905 . . . . 0.0 108.978 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.9 -41.95 99.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.549 -0.719 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -36.07 73.54 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.45 -0.781 . . . . 0.0 109.479 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.69 -39.22 90.68 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.91 97.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.589 -0.695 . . . . 0.0 109.458 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.03 -43.07 86.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.407 -0.808 . . . . 0.0 109.852 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -97.2 36.54 1.44 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.172 -0.955 . . . . 0.0 109.37 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -83.23 99.77 10.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.35 -0.843 . . . . 0.0 109.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -102.13 -10.46 19.62 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.5 m -125.49 93.68 3.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.75 153.99 89.29 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.375 -0.828 . . . . 0.0 109.773 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.76 162.26 43.21 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.677 2.251 . . . . 0.0 113.059 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.429 ' H ' HG22 ' B' ' 43' ' ' VAL . 9.3 m -59.18 -18.35 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.466 -0.771 . . . . 0.0 109.845 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.42 -42.97 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.982 . . . . 0.0 109.705 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.51 -44.04 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.147 -0.97 . . . . 0.0 109.356 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.64 -39.37 88.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.208 -0.932 . . . . 0.0 108.775 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.14 -47.31 85.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.46 -0.775 . . . . 0.0 109.358 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.92 -44.33 97.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.551 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.19 90.15 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.374 -0.829 . . . . 0.0 109.741 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.2 -46.59 88.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.35 -0.844 . . . . 0.0 108.883 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.582 HD13 ' OE1' ' A' ' 10' ' ' GLU . 86.0 mt -63.3 -42.93 99.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.42 -0.8 . . . . 0.0 109.503 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' B' ' 52' ' ' ARG . 25.7 tpt85 -64.47 -40.65 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.382 -0.824 . . . . 0.0 109.349 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -61.07 -18.2 56.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.465 -0.772 . . . . 0.0 109.509 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.425 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 98.4 mttt -91.04 2.81 56.04 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 108.951 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.65 1.52 65.89 Favored Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -63.33 137.35 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -1.203 . . . . 0.0 109.173 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' B' ' 57' ' ' ASP . 10.3 p-10 -83.91 90.12 7.34 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.005 0.907 . . . . 0.0 110.816 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 3.9 mm? -86.21 -13.09 47.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.034 -1.041 . . . . 0.0 108.413 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 8.9 p-10 -67.72 -48.88 65.25 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.863 . . . . 0.0 109.61 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.42 91.47 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.14 -47.63 85.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.289 -0.882 . . . . 0.0 109.543 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.79 -38.26 89.96 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.762 -0.586 . . . . 0.0 110.072 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -55.94 -40.07 72.61 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.523 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -69.24 -36.15 76.86 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.126 -0.984 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.81 -1.181 . . . . 0.0 110.766 -178.765 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.604 0.716 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.82 -41.54 95.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.562 -0.711 . . . . 0.0 110.279 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.9 m -57.51 -34.35 68.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.344 -0.847 . . . . 0.0 110.299 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.63 -40.3 96.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 0.0 110.06 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -64.91 -41.25 95.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.647 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.15 -42.35 99.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.249 -0.907 . . . . 0.0 109.235 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.16 -45.38 88.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 109.875 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.47 -47.42 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.0 110.035 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.86 -43.92 97.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.302 -0.874 . . . . 0.0 109.973 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -60.36 -44.35 95.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.073 -1.017 . . . . 0.0 108.822 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.99 -42.96 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.514 -0.742 . . . . 0.0 109.182 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.792 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.9 mt -85.66 -4.13 59.08 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p 42.1 59.17 2.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.679 -0.638 . . . . 0.0 110.041 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.96 142.13 30.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.455 -0.778 . . . . 0.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 p -82.14 136.68 35.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.464 -0.773 . . . . 0.0 110.428 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -65.41 -36.04 82.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.576 -0.702 . . . . 0.0 109.549 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.72 -46.9 85.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.883 . . . . 0.0 109.944 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.8 t -61.81 -45.18 94.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.911 . . . . 0.0 109.625 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -67.48 -42.67 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.309 -0.869 . . . . 0.0 109.666 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.69 90.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.0 110.407 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.76 -37.65 86.92 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.104 -0.997 . . . . 0.0 109.589 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.14 -44.19 60.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.06 -1.025 . . . . 0.0 109.418 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.37 -39.25 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.51 26.86 9.58 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -127.83 168.37 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.45 -1.029 . . . . 0.0 110.137 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 154.99 41.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.765 . . . . 0.0 110.117 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -61.72 -43.05 99.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.528 -0.733 . . . . 0.0 109.57 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.9 -36.7 85.2 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.177 -0.952 . . . . 0.0 108.957 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.09 -37.01 85.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.37 -0.831 . . . . 0.0 108.796 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 18' ' ' ALA . 13.7 tp -60.97 -44.77 96.85 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.221 -0.925 . . . . 0.0 108.68 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.87 -33.55 74.97 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.863 0.84 . . . . 0.0 108.98 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.93 -36.52 84.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.663 -0.648 . . . . 0.0 110.327 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -43.45 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.955 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.579 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -64.81 -36.87 85.74 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.493 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -107.74 38.53 2.14 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p -82.46 -92.02 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.526 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -166.54 -143.57 0.06 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.38 -0.825 . . . . 0.0 110.041 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 p -72.13 166.4 22.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.285 -0.884 . . . . 0.0 110.65 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.04 151.6 47.15 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.58 -0.7 . . . . 0.0 109.696 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.16 150.35 59.55 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.583 2.189 . . . . 0.0 112.762 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' B' ' 35' ' ' ILE . 7.1 p -63.86 -16.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.534 -0.729 . . . . 0.0 109.793 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.9 t -59.32 -42.56 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.592 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.37 -42.38 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.684 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CD ' ' SD ' ' B' ' 25' ' ' MET . 63.9 mttp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.961 -1.087 . . . . 0.0 109.144 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -54.98 39.09 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.6 mt -46.76 -36.16 3.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.312 -0.868 . . . . 0.0 109.296 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.05 93.52 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.428 -0.795 . . . . 0.0 109.685 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD11 HD21 ' B' ' 7' ' ' LEU . 91.5 mt -63.36 -42.44 98.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.894 . . . . 0.0 109.648 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -65.8 -37.84 87.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -0.909 . . . . 0.0 109.507 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.51 -20.5 55.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 0.0 109.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -90.64 2.97 55.41 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.4 57.86 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' LEU . 56.1 t -67.72 137.87 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -1.133 . . . . 0.0 110.071 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.53 63.23 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.589 0.709 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' VAL . 53.6 tp -65.57 -41.63 92.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.714 . . . . 0.0 109.325 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 28.4 p-10 -60.14 -43.7 95.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.414 -0.804 . . . . 0.0 110.18 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -65.6 -38.29 89.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.098 -1.001 . . . . 0.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 61' ' ' LEU . 4.1 tt -62.44 -52.75 62.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.822 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.61 -42.35 74.48 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.335 -0.853 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -48.78 -43.02 37.56 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 108.82 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -46.02 71.89 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.565 -0.709 . . . . 0.0 109.975 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.495 1.78 0 O-C-N 121.145 -0.972 . . . . 0.0 110.444 -179.059 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.584 0.707 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.23 -44.05 96.33 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.449 -0.782 . . . . 0.0 109.693 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -67.82 -35.75 79.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.95 -43.74 97.97 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.138 -0.976 . . . . 0.0 108.606 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.475 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 4.5 mm-40 -69.73 -42.9 73.36 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.64 ' O ' HD23 ' B' ' 7' ' ' LEU . 3.8 tt -57.91 -41.54 82.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.746 . . . . 0.0 109.202 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.03 -39.96 94.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.396 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.28 -46.65 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.188 -0.945 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 6.0 mp0 -66.53 -38.32 86.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.115 -0.991 . . . . 0.0 109.64 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -59.45 -46.89 87.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -0.999 . . . . 0.0 108.797 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.45 -40.65 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.482 -0.761 . . . . 0.0 109.446 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -53.61 -41.82 67.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.373 -0.829 . . . . 0.0 109.427 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -83.74 -8.16 59.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.08 -1.013 . . . . 0.0 108.769 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.468 ' C ' HD22 ' B' ' 16' ' ' LEU . 3.4 t 59.04 61.92 2.0 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.182 0.515 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 15' ' ' SER . 4.2 mm? -110.38 133.0 53.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 121.86 0.838 . . . . 0.0 109.645 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -86.88 154.56 20.76 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.612 0.72 . . . . 0.0 109.675 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.98 82.03 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.511 -0.743 . . . . 0.0 109.274 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.12 -42.39 99.53 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.498 -0.752 . . . . 0.0 109.655 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -60.31 -50.86 71.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.172 -0.955 . . . . 0.0 110.152 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.14 -44.06 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-O 121.718 0.77 . . . . 0.0 109.828 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.23 70.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.494 -0.754 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -67.62 -35.5 79.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.257 -0.902 . . . . 0.0 109.385 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.64 -68.47 0.33 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.423 -0.798 . . . . 0.0 109.235 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.406 ' SD ' ' CD ' ' A' ' 46' ' ' LYS . 68.0 mtm -67.02 -39.09 86.96 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.692 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.46 52.69 2.28 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -122.1 163.56 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.527 -0.984 . . . . 0.0 109.793 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -66.38 146.97 53.96 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.476 -0.765 . . . . 0.0 110.332 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.5 -33.07 72.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.632 -0.668 . . . . 0.0 109.213 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -63.63 -40.83 97.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.918 . . . . 0.0 109.524 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.88 -45.68 88.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.276 -0.89 . . . . 0.0 109.839 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.05 -42.15 97.12 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.205 -0.935 . . . . 0.0 109.374 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -60.64 -34.15 73.84 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.822 0.82 . . . . 0.0 109.124 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 38' ' ' SER . 21.0 t30 -66.21 -33.98 76.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.235 -0.916 . . . . 0.0 110.003 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.421 HD11 ' CG1' ' A' ' 43' ' ' VAL . 96.4 mt -62.15 -46.54 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.997 -1.064 . . . . 0.0 110.199 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -70.07 -23.07 63.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.482 -0.762 . . . . 0.0 109.673 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -107.98 2.84 23.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.535 -0.728 . . . . 0.0 109.507 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 34' ' ' ASN . 21.0 p -63.48 171.55 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.01 -1.056 . . . . 0.0 110.419 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -71.83 -121.29 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.559 -0.713 . . . . 0.0 110.188 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.2 t -92.07 -174.05 3.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.407 -0.808 . . . . 0.0 110.655 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.58 150.95 57.88 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.17 157.38 59.77 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.655 2.236 . . . . 0.0 113.114 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.75 -22.83 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.589 -0.694 . . . . 0.0 110.107 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.0 -43.51 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.116 -0.99 . . . . 0.0 109.6 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 83.7 t -61.6 -43.74 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 109.329 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.39 -40.98 96.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.188 -0.945 . . . . 0.0 108.788 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.46 -46.55 89.6 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.0 0.905 . . . . 0.0 108.634 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.07 -42.28 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 108.971 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.529 -0.732 . . . . 0.0 110.079 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -62.1 -48.88 78.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.11 -0.994 . . . . 0.0 108.644 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.37 -39.94 89.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 109.497 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.09 -41.8 98.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.413 -0.804 . . . . 0.0 109.912 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 36.0 t -59.13 -17.83 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.639 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -94.19 -1.23 54.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 108.964 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.52 25.54 60.78 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' B' ' 58' ' ' LEU . 59.3 t -67.14 136.87 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.127 -1.219 . . . . 0.0 109.664 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 82.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.617 0.722 . . . . 0.0 109.712 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 56' ' ' VAL . 54.2 tp -91.54 -50.72 5.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.563 -0.71 . . . . 0.0 110.273 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -60.94 -41.27 95.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.877 . . . . 0.0 109.914 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.14 91.98 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 109.438 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.34 -48.11 82.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.433 -0.792 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' B' ' 63' ' ' ASP . 9.7 m-85 -69.58 -42.23 74.74 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.535 -0.728 . . . . 0.0 109.77 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 62' ' ' PHE . 33.0 t70 -40.25 -45.47 2.08 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.453 0.644 . . . . 0.0 109.963 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -69.73 -42.51 73.88 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.563 -0.71 . . . . 0.0 109.381 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.203 -0.936 . . . . 0.0 109.949 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.634 0.731 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.429 -0.794 . . . . 0.0 109.499 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -58.13 -36.76 73.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' HA ' ' HZ3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -62.86 -40.59 97.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.588 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -62.04 -44.65 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 0.0 109.789 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.11 -42.61 99.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.029 -1.044 . . . . 0.0 109.227 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HZ3' ' HB3' ' A' ' 8' ' ' LYS . 8.3 ttpm? -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.08 -45.31 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.447 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -64.84 -34.71 79.03 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.267 -0.896 . . . . 0.0 108.915 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' SER . 51.0 ttp180 -61.11 -47.32 86.84 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.93 -42.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 121.349 0.595 . . . . 0.0 109.51 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -54.71 -45.27 74.01 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.55 -0.17 38.27 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.209 -0.932 . . . . 0.0 108.499 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.0 t 45.16 79.82 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.517 -0.739 . . . . 0.0 109.738 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD22 ' NZ ' ' B' ' 54' ' ' LYS . 76.4 mt -104.82 132.98 50.39 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.452 -0.78 . . . . 0.0 109.424 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -79.93 135.02 36.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.381 -0.824 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.36 84.99 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.503 -0.748 . . . . 0.0 109.816 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.09 -45.51 93.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.277 -0.889 . . . . 0.0 109.683 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -61.33 -46.29 90.89 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.304 -0.873 . . . . 0.0 110.105 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.48 -46.09 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.331 -0.855 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.53 93.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.91 . . . . 0.0 110.078 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.63 -46.91 62.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 110.431 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.98 -35.82 72.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 110.205 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -62.62 -38.37 89.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.895 . . . . 0.0 109.32 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.73 9.42 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -126.52 162.25 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.975 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -65.12 154.23 38.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.437 -0.789 . . . . 0.0 110.263 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -63.08 -38.98 93.36 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.73 -40.37 97.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.284 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.89 -40.4 95.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.59 -39.9 95.57 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 0.0 109.109 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.5 m -56.21 -38.86 71.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.99 -41.49 98.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.333 -0.854 . . . . 0.0 109.269 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.93 -42.83 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.0 109.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.02 -39.19 93.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.231 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.72 6.81 48.0 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.841 -1.162 . . . . 0.0 109.063 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -62.23 122.59 16.0 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.296 -0.877 . . . . 0.0 109.886 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -109.78 -7.35 15.06 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -114.05 123.13 48.91 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.34 152.88 37.95 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.367 -0.833 . . . . 0.0 109.568 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.54 159.63 50.73 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.77 2.313 . . . . 0.0 112.88 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.89 -16.99 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.267 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.81 -44.86 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.96 -44.34 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.155 -0.966 . . . . 0.0 109.32 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.9 -40.97 97.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.0 109.254 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.78 -44.49 96.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.113 -0.992 . . . . 0.0 108.359 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.18 -43.14 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.547 -0.72 . . . . 0.0 109.476 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.37 75.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 109.343 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -61.41 -44.75 96.6 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.436 -0.79 . . . . 0.0 108.898 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD11 HD11 ' B' ' 7' ' ' LEU . 96.1 mt -63.42 -40.53 97.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.261 -0.9 . . . . 0.0 108.95 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -61.16 -40.49 94.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.556 -0.715 . . . . 0.0 109.655 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.0 p -60.36 -21.16 61.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -93.32 -1.93 55.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.019 -1.051 . . . . 0.0 108.788 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 73.31 40.01 50.14 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 120.112 -1.042 . . . . 0.0 110.55 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.95 -18.08 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.925 -1.338 . . . . 0.0 109.249 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.5 m-20 63.57 56.14 1.64 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.583 0.706 . . . . 0.0 109.706 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.627 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -64.96 -39.32 93.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 179.586 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 3.9 p-10 -39.57 -39.37 0.72 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.657 -0.652 . . . . 0.0 110.33 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.86 94.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.212 -0.93 . . . . 0.0 109.368 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' LEU . 96.7 mt -64.29 -43.42 94.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -64.01 -40.45 96.38 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.508 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.17 -34.98 75.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.456 -0.778 . . . . 0.0 109.127 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -67.02 -21.78 65.92 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 109.952 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 N--CA 1.491 1.586 0 O-C-N 120.882 -1.136 . . . . 0.0 109.374 179.537 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' B' ' 5' ' ' ASN . 15.1 pt-20 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.417 0.627 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.89 -41.19 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.48 -0.762 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -60.0 -34.41 73.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.967 -1.083 . . . . 0.0 109.11 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ASN . . . . . 0.462 ' H ' ' HG3' ' B' ' 2' ' ' GLU . 0.4 OUTLIER -65.28 -40.72 94.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.497 -0.752 . . . . 0.0 109.323 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.95 -36.26 82.85 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.287 -0.883 . . . . 0.0 109.171 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.4 HD11 HD11 ' A' ' 51' ' ' LEU . 55.5 tp -62.58 -42.83 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.531 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -38.06 88.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 109.378 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.86 -42.93 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.281 -0.887 . . . . 0.0 109.134 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.458 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 89.4 mt-10 -55.45 -41.77 73.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.297 -0.877 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 15' ' ' SER . 10.5 ttp180 -60.39 -47.07 87.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.366 -0.834 . . . . 0.0 108.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.51 -42.69 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' B' ' 13' ' ' ARG . 41.8 ttt-85 -56.76 -45.72 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.479 -0.763 . . . . 0.0 109.337 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' B' ' 15' ' ' SER . 96.5 mt -98.41 1.55 46.98 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 36.82 76.01 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.74 160.03 21.35 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.759 0.79 . . . . 0.0 110.026 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -97.08 126.05 41.97 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.83 82.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.58 -0.7 . . . . 0.0 109.544 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -63.92 -43.06 97.03 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -50.11 73.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 110.129 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.41 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 85.8 t -68.56 -45.18 82.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 110.091 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.296 -0.877 . . . . 0.0 110.552 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.53 -45.56 82.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.261 -0.899 . . . . 0.0 109.895 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.25 -43.64 73.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.519 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.41 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 91.5 mtp -66.18 -39.66 89.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 109.733 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.39 33.3 4.26 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -130.29 165.7 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.419 -1.048 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -79.17 167.99 20.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.82 . . . . 0.0 110.534 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' B' ' 29' ' ' ARG . 50.2 mtm-85 -64.93 -36.94 85.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.57 -0.706 . . . . 0.0 109.342 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.78 -48.07 78.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.27 -0.894 . . . . 0.0 110.217 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.14 -41.65 88.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 0.0 109.082 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.91 -39.71 94.79 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.397 -0.814 . . . . 0.0 109.21 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 t -58.91 -32.29 69.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.0 109.083 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.19 -39.03 89.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.224 -0.923 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -44.54 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.321 -0.862 . . . . 0.0 110.64 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -78.24 -15.08 59.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.892 -1.13 . . . . 0.0 108.995 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -98.63 11.82 37.27 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.8 142.77 52.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.858 . . . . 0.0 110.535 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -104.68 -36.96 7.27 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.6 p -131.88 156.58 45.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.554 -0.716 . . . . 0.0 109.529 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.71 151.95 38.79 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.43 160.5 49.55 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.64 2.227 . . . . 0.0 112.728 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.43 -19.38 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.0 109.131 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.17 -44.97 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.331 -0.856 . . . . 0.0 109.116 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.34 -44.2 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.317 -0.864 . . . . 0.0 109.049 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.81 -41.34 97.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.838 . . . . 0.0 109.236 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.97 -44.28 97.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.32 -0.863 . . . . 0.0 109.183 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.517 HG23 HD21 ' B' ' 58' ' ' LEU . 94.4 mt -63.18 -43.5 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.61 -34.6 75.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.424 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.02 -49.01 79.33 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.347 -0.846 . . . . 0.0 108.85 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.78 -39.16 87.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.529 -0.732 . . . . 0.0 109.121 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' B' ' 52' ' ' ARG . 29.0 ttp180 -61.94 -41.19 97.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.3 -0.875 . . . . 0.0 109.501 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -62.79 -18.52 62.83 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.025 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.631 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 99.3 mttt -90.37 4.2 51.55 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.31 78.57 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.587 ' O ' ' N ' ' B' ' 58' ' ' LEU . 51.0 t -64.56 145.55 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.055 -1.262 . . . . 0.0 109.526 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.3 72.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.571 0.701 . . . . 0.0 109.528 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -69.01 -43.07 75.54 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.57 0.7 . . . . 0.0 110.618 -178.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.76 -41.1 97.24 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.93 81.96 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.47 -0.769 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.41 -50.71 72.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.074 -1.016 . . . . 0.0 110.1 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.24 -40.05 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.242 -0.911 . . . . 0.0 110.651 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.48 ' HB3' HH21 ' B' ' 64' ' ' ARG . 16.4 t0 -62.47 -38.46 89.92 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.519 -0.738 . . . . 0.0 110.431 -178.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . 0.575 ' CA ' ' HE ' ' B' ' 64' ' ' ARG . 0.0 OUTLIER -58.92 -16.08 15.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.908 -1.12 . . . . 0.0 108.358 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mm . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.0 109.228 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -79.82 -173.19 3.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.193 -0.942 . . . . 0.0 109.661 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.41 -43.06 99.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.424 -0.797 . . . . 0.0 109.834 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -75.71 -33.51 60.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.824 -1.173 . . . . 0.0 109.97 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.4 -45.62 90.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.094 -1.003 . . . . 0.0 110.096 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -69.32 -34.5 74.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.113 -0.992 . . . . 0.0 108.958 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 5.4 tp -60.75 -33.48 72.99 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -74.49 -36.53 63.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.033 -1.042 . . . . 0.0 109.231 178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.46 -46.55 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.328 -0.858 . . . . 0.0 110.509 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 22.2 pt-20 -65.19 -42.34 93.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.7 -1.25 . . . . 0.0 109.144 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 15' ' ' SER . 42.8 ttm180 -62.6 -47.17 84.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.886 -1.134 . . . . 0.0 109.148 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.58 -43.34 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.419 -0.801 . . . . 0.0 109.98 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -59.58 -43.64 93.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.387 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.8 mt -95.0 -4.16 47.1 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.217 -0.927 . . . . 0.0 108.781 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 11' ' ' ARG . 34.7 t 45.14 78.68 0.06 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.376 -0.828 . . . . 0.0 110.048 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.1 mt -112.33 133.22 54.55 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.427 -0.796 . . . . 0.0 109.3 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 21' ' ' VAL . 12.3 p -85.61 159.44 19.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.192 -0.942 . . . . 0.0 110.191 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.22 -38.59 75.28 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.61 -48.18 73.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.51 -0.744 . . . . 0.0 109.877 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.7 t -63.28 -44.91 93.76 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.099 -1.0 . . . . 0.0 109.365 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 17' ' ' THR . 73.8 t -66.23 -43.75 91.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.444 -0.785 . . . . 0.0 110.161 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.8 99.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.074 -1.016 . . . . 0.0 110.35 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.91 -43.2 79.81 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.799 -1.188 . . . . 0.0 109.466 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -68.1 -43.51 78.29 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.183 -0.948 . . . . 0.0 109.381 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 86.1 mmm -66.08 -39.31 89.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.43 -0.793 . . . . 0.0 109.548 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.1 26.97 14.53 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.3 164.9 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.688 -0.889 . . . . 0.0 109.286 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -73.72 155.31 39.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.233 -0.917 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -63.89 -34.95 79.09 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.26 -41.02 87.82 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.436 -0.79 . . . . 0.0 109.145 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.07 -38.76 92.46 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.303 -0.873 . . . . 0.0 108.923 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -61.86 -42.0 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.41 -0.807 . . . . 0.0 109.008 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.9 m -62.13 -33.81 75.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.51 -38.82 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.81 -43.25 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.9 . . . . 0.0 108.996 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HG2' HH22 ' A' ' 11' ' ' ARG . 98.4 mt-10 -63.84 -35.3 80.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.26 -0.9 . . . . 0.0 109.511 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -89.48 6.82 39.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.244 -0.91 . . . . 0.0 109.657 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.7 p -65.03 159.42 23.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 0.0 109.286 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.7 pm0 -108.51 118.94 38.08 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.657 0.741 . . . . 0.0 109.575 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 39' ' ' GLU . 20.5 p 46.2 -173.65 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 121.528 0.68 . . . . 0.0 110.29 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.37 146.3 37.51 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.339 -0.85 . . . . 0.0 109.092 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.51 159.43 42.97 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.392 2.061 . . . . 0.0 111.956 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 m -62.87 -28.26 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.342 -0.849 . . . . 0.0 109.742 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.73 -46.93 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.187 -0.946 . . . . 0.0 109.271 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.72 -43.02 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 0.0 109.519 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.37 -41.11 96.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.85 . . . . 0.0 109.313 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -61.22 -44.3 97.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.44 -42.74 96.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 O-C-N 121.352 -0.842 . . . . 0.0 109.319 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.07 -33.64 67.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.139 -0.976 . . . . 0.0 108.715 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CE2' HG22 ' B' ' 21' ' ' VAL . 29.4 t80 -61.86 -43.89 97.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.377 -0.827 . . . . 0.0 109.302 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 51' ' ' LEU . 2.4 mm? -61.33 -40.26 93.58 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.13 -0.981 . . . . 0.0 108.906 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.529 HH22 HH22 ' B' ' 52' ' ' ARG . 15.9 ttm180 -62.81 -38.76 91.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.01 -1.056 . . . . 0.0 108.652 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -58.39 -19.09 32.96 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.201 -0.937 . . . . 0.0 109.043 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -91.71 5.26 50.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.336 -0.852 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.82 18.18 70.84 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.76 134.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.963 -1.316 . . . . 0.0 109.741 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.91 70.94 0.51 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.283 -0.885 . . . . 0.0 109.43 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.49 -41.99 98.54 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.463 -0.773 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -59.67 -42.82 93.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.0 110.065 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -33.74 76.48 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.131 -0.98 . . . . 0.0 109.064 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.1 tp -61.1 -48.95 79.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -0.854 . . . . 0.0 109.892 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.68 -35.04 74.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.993 -1.067 . . . . 0.0 109.835 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.95 -35.1 74.24 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.98 -40.65 91.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.642 -0.661 . . . . 0.0 110.158 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.78 -44.52 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.312 -0.868 . . . . 0.0 110.633 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.1 pt -78.49 150.14 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 120.939 -1.1 . . . . 0.0 110.844 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 68' ' ' ASN . 39.4 t 56.9 160.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 121.465 0.65 . . . . 0.0 110.458 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.481 ' N ' HG12 ' A' ' 67' ' ' VAL . 6.4 m120 -46.43 162.21 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.477 -0.765 . . . . 0.0 109.57 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.72 104.59 1.08 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 0.0 108.841 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 70' ' ' LEU . 2.2 pp -87.89 127.58 35.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.659 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 72' ' ' HIS . 0.4 OUTLIER -151.48 -61.34 0.17 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.248 -0.908 . . . . 0.0 109.251 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.56 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 73.9 m-70 37.33 26.88 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.585 -0.697 . . . . 0.0 110.636 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLU . 12.1 t-80 -90.16 127.31 36.07 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.205 -0.934 . . . . 0.0 110.597 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -146.79 2.25 0.81 Allowed 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 76' ' ' HIS . 37.3 t-80 -84.55 175.29 9.37 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.478 0.656 . . . . 0.0 109.65 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.615 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 36.3 m80 -70.6 147.46 49.2 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.327 -0.858 . . . . 0.0 109.548 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.4 m80 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.715 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.452 ' O ' ' O ' ' B' ' 2' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' B' ' 1' ' ' MET . 47.4 mt-10 57.05 121.68 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.731 0.776 . . . . 0.0 110.444 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.59 -41.96 99.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.256 -0.903 . . . . 0.0 109.912 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.6 m -59.5 -41.07 89.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 110.202 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.67 -41.22 98.97 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.187 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.63 -35.45 78.94 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.203 -0.935 . . . . 0.0 109.807 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.0 -44.38 97.49 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.192 -0.942 . . . . 0.0 109.59 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -66.21 -39.39 89.58 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.196 -0.94 . . . . 0.0 110.006 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.585 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.1 -39.21 93.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.098 -1.001 . . . . 0.0 109.19 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.433 HH22 ' CB ' ' B' ' 36' ' ' GLU . 32.8 ttm180 -61.64 -45.3 94.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.449 -0.782 . . . . 0.0 108.916 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.27 -43.7 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-O 121.294 0.569 . . . . 0.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -61.8 -41.39 97.69 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' B' ' 15' ' ' SER . 94.3 mt -85.95 -8.26 58.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.1 p 40.3 48.05 2.27 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.432 0.634 . . . . 0.0 109.488 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.64 159.81 26.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.371 -0.83 . . . . 0.0 110.174 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.9 p -105.51 134.41 48.66 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.754 0.787 . . . . 0.0 109.935 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.47 -23.2 66.85 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 0.0 109.395 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.92 -46.16 91.77 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.487 -0.758 . . . . 0.0 109.273 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.5 t -72.55 -41.37 65.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.392 -0.817 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 50' ' ' PHE . 94.7 t -62.58 -46.55 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.178 -0.951 . . . . 0.0 110.66 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.12 89.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.929 -1.107 . . . . 0.0 110.191 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.13 -44.9 82.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.876 -1.14 . . . . 0.0 109.154 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.17 -40.8 64.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.341 -0.85 . . . . 0.0 109.99 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 85.0 mmm -65.55 -39.92 92.26 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.173 -0.954 . . . . 0.0 109.453 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.9 29.09 16.43 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.67 166.78 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.433 -1.04 . . . . 0.0 109.758 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -69.17 149.26 48.81 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.375 -0.828 . . . . 0.0 108.89 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.46 -36.04 82.88 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.383 -0.823 . . . . 0.0 109.051 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -58.96 -42.18 89.24 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -65.11 -34.02 77.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 109.339 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.73 -43.16 94.3 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 21.0 m -62.56 -37.53 86.51 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -68.55 -29.82 68.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.284 -0.885 . . . . 0.0 110.492 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.7 -44.79 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.796 -1.19 . . . . 0.0 109.346 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.433 ' CB ' HH22 ' B' ' 11' ' ' ARG . 8.8 pt-20 -69.84 -35.55 74.85 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.979 -1.076 . . . . 0.0 109.167 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' B' ' 39' ' ' GLU . 75.2 mt-30 -90.49 13.53 15.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.178 -0.951 . . . . 0.0 109.381 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.513 ' O ' ' N ' ' B' ' 40' ' ' THR . 88.7 p -68.5 34.69 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.157 -0.965 . . . . 0.0 110.115 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 37' ' ' GLN . 53.0 mt-10 53.16 -86.53 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.241 -0.912 . . . . 0.0 110.412 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.513 ' N ' ' O ' ' B' ' 38' ' ' SER . 9.3 t -131.9 168.08 18.49 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.397 -0.815 . . . . 0.0 109.767 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.99 155.91 77.26 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.384 -0.822 . . . . 0.0 109.085 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.93 160.72 46.97 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.631 2.221 . . . . 0.0 112.11 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.5 -18.4 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.403 -0.81 . . . . 0.0 109.411 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.49 -44.6 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.268 -0.895 . . . . 0.0 108.93 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.61 -44.58 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.33 -0.856 . . . . 0.0 108.901 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.23 -40.32 97.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.355 -0.84 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.42 -41.18 88.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.876 . . . . 0.0 109.039 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.34 -43.15 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.366 -0.834 . . . . 0.0 109.035 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.54 74.73 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.218 -0.926 . . . . 0.0 109.162 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 17.6 t80 -61.11 -49.81 75.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.869 . . . . 0.0 109.474 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' B' ' 51' ' ' LEU . 3.3 mm? -66.49 -39.82 88.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 109.081 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.529 HH22 HH22 ' A' ' 52' ' ' ARG . 40.0 ttt180 -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.344 -0.848 . . . . 0.0 108.989 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -57.21 -20.2 25.63 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.482 -0.761 . . . . 0.0 109.65 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 59.2 mttp -90.34 8.45 33.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.292 -0.88 . . . . 0.0 109.236 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.85 19.67 65.02 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.54 ' O ' ' N ' ' B' ' 58' ' ' LEU . 79.3 t -69.4 134.45 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.051 -1.264 . . . . 0.0 109.681 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 70.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.581 -0.699 . . . . 0.0 110.428 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' B' ' 56' ' ' VAL . 49.9 tp -63.62 -42.6 98.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.081 -1.012 . . . . 0.0 109.78 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.815 HD22 ' H ' ' B' ' 59' ' ' ASN . 0.4 OUTLIER -59.56 -41.99 91.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.156 -0.965 . . . . 0.0 109.792 -179.077 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.05 85.73 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.017 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -62.43 -46.97 86.11 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.425 -0.797 . . . . 0.0 109.545 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.35 -33.64 71.69 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.146 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.08 -41.13 91.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.147 -0.971 . . . . 0.0 109.761 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -64.64 -37.35 87.28 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.404 -0.81 . . . . 0.0 110.682 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.08 -43.67 99.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.848 -1.158 . . . . 0.0 109.976 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.464 ' O ' ' O ' ' B' ' 67' ' ' VAL . 22.8 pt -75.18 140.97 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.087 -1.008 . . . . 0.0 109.89 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.835 HG22 ' H ' ' B' ' 68' ' ' ASN . 12.8 p -48.1 -177.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.57 0.7 . . . . 0.0 110.718 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.835 ' H ' HG22 ' B' ' 67' ' ' VAL . 5.7 t-20 60.14 44.22 13.2 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.178 -0.952 . . . . 0.0 109.211 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.44 ' HD3' ' H ' ' B' ' 69' ' ' LYS . 1.9 mppt? -58.26 155.87 10.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.285 -0.885 . . . . 0.0 109.685 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 59.9 mt -66.85 141.1 57.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.874 . . . . 0.0 109.425 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -98.23 -161.26 0.86 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.382 -0.823 . . . . 0.0 109.589 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 120.8 25.46 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.289 -0.882 . . . . 0.0 109.445 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -90.14 -0.64 57.71 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.131 -0.98 . . . . 0.0 108.933 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 69.07 12.77 8.64 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.709 -0.619 . . . . 0.0 109.989 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -113.63 133.83 55.07 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.426 -0.796 . . . . 0.0 108.949 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.473 ' C ' ' CG ' ' B' ' 77' ' ' HIS . 32.8 m170 -63.36 -85.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.848 . . . . 0.0 109.979 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.473 ' CG ' ' C ' ' B' ' 76' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 118.016 -0.992 . . . . 0.0 108.923 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.435 ' CE ' HD22 ' A' ' 5' ' ' ASN . 92.0 mmm . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 5' ' ' ASN . 3.9 pt-20 -176.31 -116.27 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.55 -0.719 . . . . 0.0 109.303 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.46 ' H ' ' HG3' ' A' ' 2' ' ' GLU . 9.0 tp -41.54 -36.8 0.97 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.531 -0.73 . . . . 0.0 109.722 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.7 m -79.35 -32.68 43.28 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.965 -1.085 . . . . 0.0 109.884 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.606 ' O ' HG23 ' A' ' 9' ' ' VAL . 12.1 t-20 -63.62 -47.15 82.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.131 -0.98 . . . . 0.0 109.998 -179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -44.92 77.54 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.278 -0.888 . . . . 0.0 108.855 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.68 -45.58 86.03 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.224 -0.923 . . . . 0.0 110.192 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.55 -36.41 83.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 0.0 109.923 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 5' ' ' ASN . 23.3 t -61.63 -43.07 96.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 121.34 -0.85 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.23 -36.53 82.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.772 -1.205 . . . . 0.0 109.15 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.64 -42.43 99.59 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.082 -1.011 . . . . 0.0 109.625 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.83 -51.77 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.164 -0.96 . . . . 0.0 109.898 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' NH2' ' CG1' ' A' ' 9' ' ' VAL . 25.3 mtm-85 -67.36 -38.49 84.87 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.373 -0.829 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.0 mt -82.29 -2.34 52.34 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.213 -0.93 . . . . 0.0 108.611 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.461 ' C ' HD12 ' A' ' 16' ' ' LEU . 36.1 t 53.6 73.5 0.37 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.543 -0.723 . . . . 0.0 110.064 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.531 HD11 ' NZ ' ' B' ' 54' ' ' LYS . 8.3 mp -114.63 143.39 45.09 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.63 -0.669 . . . . 0.0 109.693 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.8 p -119.28 153.06 35.64 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.39 93.67 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.51 -0.744 . . . . 0.0 109.425 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -66.3 -47.11 74.66 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.389 -0.819 . . . . 0.0 110.289 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -63.1 -47.07 84.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.242 -0.911 . . . . 0.0 110.195 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.52 -44.79 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.279 -0.888 . . . . 0.0 109.734 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -48.29 74.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 0.0 110.178 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.82 -35.16 76.64 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.308 -0.87 . . . . 0.0 109.598 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -72.9 -51.82 17.09 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.239 -0.913 . . . . 0.0 109.817 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mtp -65.94 -39.6 90.63 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.279 -0.888 . . . . 0.0 109.607 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.89 33.49 5.24 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -125.94 161.23 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.388 -1.066 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.4 t -75.16 158.8 32.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.388 -0.82 . . . . 0.0 110.286 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 29' ' ' ARG . 31.0 mtp-105 -63.63 -37.07 85.95 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.47 -0.769 . . . . 0.0 109.332 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.27 -41.19 79.24 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.142 -0.974 . . . . 0.0 109.286 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -65.38 -38.98 91.67 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.315 -0.865 . . . . 0.0 109.237 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.08 -42.65 99.68 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.477 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.0 -36.45 84.03 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.45 -0.781 . . . . 0.0 109.704 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.29 -35.68 81.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.298 -0.876 . . . . 0.0 109.233 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.76 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.199 -0.938 . . . . 0.0 109.118 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -62.99 -35.33 79.84 Favored 'General case' 0 C--N 1.302 -1.487 0 C-N-CA 119.094 -1.042 . . . . 0.0 109.078 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -98.15 39.11 1.25 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.269 -0.894 . . . . 0.0 108.892 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' THR . 77.9 p -70.01 -13.02 62.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 108.988 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 54.16 -85.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.376 -0.827 . . . . 0.0 110.291 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' SER . 10.3 t -96.27 158.52 15.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.069 -1.02 . . . . 0.0 109.85 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 127.44 34.75 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.419 -0.8 . . . . 0.0 109.303 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -47.89 145.68 9.76 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.101 1.868 . . . . 0.0 113.542 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.95 -30.22 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.478 -0.764 . . . . 0.0 109.243 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.32 -32.67 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 O-C-N 121.238 -0.914 . . . . 0.0 109.66 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -62.26 -47.43 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.143 -0.973 . . . . 0.0 109.133 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.94 -35.58 81.6 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.3 -0.875 . . . . 0.0 109.343 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.15 -41.77 72.23 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.193 -1.039 . . . . 0.0 108.193 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.43 -43.73 98.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.531 -0.73 . . . . 0.0 109.034 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.77 -36.31 80.67 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 0.0 109.467 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 78.2 t80 -60.03 -44.34 94.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.425 -0.797 . . . . 0.0 109.612 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.25 -41.26 98.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -0.876 . . . . 0.0 109.393 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -62.29 -32.24 72.93 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.236 -0.915 . . . . 0.0 109.151 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -57.84 -21.77 44.32 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.131 -0.981 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 14.8 mptt -97.14 2.41 51.09 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.264 -0.898 . . . . 0.0 108.629 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.5 23.75 49.48 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.44 136.9 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.915 -1.344 . . . . 0.0 109.742 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.7 88.34 2.78 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.176 -0.952 . . . . 0.0 109.654 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.2 tp -80.03 -27.66 39.45 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.484 -0.76 . . . . 0.0 109.561 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.711 HD21 HH22 ' B' ' 52' ' ' ARG . 8.2 m-80 -61.79 -41.87 98.28 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.395 -0.816 . . . . 0.0 109.908 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.8 94.74 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.984 -1.073 . . . . 0.0 109.074 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.07 -46.26 81.91 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.287 -0.883 . . . . 0.0 109.782 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -68.8 -37.59 79.36 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.6 -0.688 . . . . 0.0 109.569 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 70.5 m-20 -59.94 -45.99 90.82 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.212 -0.93 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -67.06 -44.18 80.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.175 -0.953 . . . . 0.0 109.583 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.1 -43.19 95.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 O-C-N 121.345 -0.847 . . . . 0.0 110.054 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 67' ' ' VAL . 96.7 mt -74.46 123.69 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.073 -1.017 . . . . 0.0 110.008 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 66' ' ' ILE . 15.4 m -157.61 115.01 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.514 -0.741 . . . . 0.0 109.029 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -71.26 112.54 7.48 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.407 -0.808 . . . . 0.0 110.042 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.73 150.94 22.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.381 -0.825 . . . . 0.0 110.204 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.3 mt -86.31 -5.42 59.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.382 -0.824 . . . . 0.0 109.088 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -89.2 120.14 30.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.248 -0.907 . . . . 0.0 110.054 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.533 ' ND1' ' N ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -88.77 -90.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.451 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 93.7 m-70 47.08 -118.8 0.92 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.44 -0.788 . . . . 0.0 110.397 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.519 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 5.6 m170 45.12 49.18 9.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.366 -0.834 . . . . 0.0 108.945 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -65.64 -44.27 86.94 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.582 -0.699 . . . . 0.0 109.787 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -121.83 128.92 52.2 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.638 -0.664 . . . . 0.0 109.715 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.428 ' O ' ' ND1' ' A' ' 77' ' ' HIS . 58.5 t-80 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 117.828 -1.082 . . . . 0.0 109.823 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.457 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -173.59 -141.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.359 -0.838 . . . . 0.0 110.077 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -45.49 -43.26 11.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.541 -0.724 . . . . 0.0 109.838 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -62.91 -37.1 85.61 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.084 -1.01 . . . . 0.0 110.058 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.75 -39.43 94.1 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 110.043 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -69.69 -43.87 71.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.535 0.683 . . . . 0.0 109.266 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.91 -41.0 99.29 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.905 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -40.14 94.18 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.458 -0.776 . . . . 0.0 109.985 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.96 -44.18 97.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.141 -0.974 . . . . 0.0 109.212 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.87 -50.35 70.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.228 -0.92 . . . . 0.0 110.141 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.46 ' NH1' ' CD ' ' B' ' 36' ' ' GLU . 10.6 ttt180 -65.76 -43.03 90.13 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.425 -0.797 . . . . 0.0 110.219 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.43 -42.9 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.299 -0.876 . . . . 0.0 109.68 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 13' ' ' ARG . 0.6 OUTLIER -57.51 -44.62 85.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.424 -0.798 . . . . 0.0 109.127 -179.06 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.5 mt -85.23 -5.88 59.3 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 3.7 t 47.65 70.58 0.41 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.618 -0.676 . . . . 0.0 109.936 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -110.52 135.3 51.4 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.423 -0.798 . . . . 0.0 109.65 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.9 p -76.63 150.16 36.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.316 -0.865 . . . . 0.0 110.254 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.69 86.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.503 -0.748 . . . . 0.0 109.926 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -64.2 -43.5 94.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.042 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -59.53 -45.1 92.77 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.2 -0.937 . . . . 0.0 109.78 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.65 -43.31 86.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.161 -0.962 . . . . 0.0 109.711 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -46.84 88.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.453 -0.779 . . . . 0.0 110.63 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -66.05 -37.5 85.98 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.88 -44.82 65.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 109.574 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 76.8 mmm -65.09 -38.95 92.38 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.341 -0.849 . . . . 0.0 109.612 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.51 19.98 16.53 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 pt -122.67 163.39 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.446 -1.032 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 97.3 p -76.13 165.64 24.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.564 -0.71 . . . . 0.0 110.517 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -63.09 -35.68 81.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.558 -0.714 . . . . 0.0 109.182 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -57.16 -44.37 83.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.414 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.13 -44.72 83.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.318 -0.864 . . . . 0.0 109.375 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -64.24 -42.48 96.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.442 -0.786 . . . . 0.0 109.626 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.9 m -63.44 -36.05 82.46 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.55 -0.719 . . . . 0.0 109.588 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -62.39 -38.99 91.73 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 94.2 mt -64.59 -43.9 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' B' ' 11' ' ' ARG . 81.2 mt-10 -68.94 -12.81 61.99 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -108.47 -7.87 15.69 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.5 t -58.65 144.5 43.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.235 -0.916 . . . . 0.0 110.357 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -118.76 -40.75 2.84 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 53.7 m -111.65 126.82 55.43 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.564 -0.71 . . . . 0.0 109.705 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.83 151.81 39.27 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.502 -0.748 . . . . 0.0 109.401 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.4 153.65 77.26 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.368 2.045 . . . . 0.0 112.875 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' B' ' 46' ' ' LYS . 14.5 p -63.72 -31.59 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.458 -0.776 . . . . 0.0 109.994 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.466 HG23 ' N ' ' B' ' 45' ' ' VAL . 7.1 m -41.05 -38.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.644 -0.66 . . . . 0.0 109.866 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.466 ' N ' HG23 ' B' ' 44' ' ' VAL . 75.6 t -64.42 -45.02 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.213 -0.929 . . . . 0.0 109.172 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' B' ' 43' ' ' VAL . 99.5 mttt -63.99 -39.43 94.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.301 -0.874 . . . . 0.0 109.403 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -60.12 -41.54 92.85 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.451 -0.78 . . . . 0.0 109.347 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.86 -42.94 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.34 69.21 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.273 -0.892 . . . . 0.0 109.356 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.59 -51.9 66.62 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.35 -38.41 84.79 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.354 -0.841 . . . . 0.0 108.866 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.711 HH22 HD21 ' A' ' 59' ' ' ASN . 31.2 ttt180 -59.68 -37.14 77.99 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.414 -0.804 . . . . 0.0 109.135 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -54.91 -35.81 64.54 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.432 -0.792 . . . . 0.0 109.378 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.531 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 98.3 mttt -84.38 11.83 7.81 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 109.322 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.28 29.17 70.47 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.16 132.65 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.722 -1.458 . . . . 0.0 109.561 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.5 73.16 5.06 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.262 -0.899 . . . . 0.0 109.171 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.749 HD12 HD12 ' B' ' 61' ' ' LEU . 7.6 tp -88.07 -9.01 54.67 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -64.95 -42.73 94.36 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.65 90.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.622 -0.674 . . . . 0.0 109.981 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.749 HD12 HD12 ' B' ' 58' ' ' LEU . 84.5 mt -62.43 -42.91 99.8 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.317 -0.864 . . . . 0.0 109.339 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -65.22 -39.36 92.68 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.281 -0.887 . . . . 0.0 109.431 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -59.25 -34.25 72.01 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.06 -1.025 . . . . 0.0 108.854 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -61.84 -42.39 98.98 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 32.0 mm -65.72 -44.04 93.39 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 O-C-N 121.618 -0.677 . . . . 0.0 109.762 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.99 87.78 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.009 -1.057 . . . . 0.0 109.649 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.21 143.52 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.371 -0.831 . . . . 0.0 110.362 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -41.81 138.96 1.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.487 0.66 . . . . 0.0 110.83 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.7 138.56 58.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.508 -0.745 . . . . 0.0 110.257 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' B' ' 71' ' ' GLU . 73.1 mt -68.77 168.79 12.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.512 -0.743 . . . . 0.0 110.315 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' B' ' 70' ' ' LEU . 9.9 tp10 -60.37 -142.43 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.681 -0.637 . . . . 0.0 110.045 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -88.08 110.19 20.45 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.302 -0.874 . . . . 0.0 109.698 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.46 55.42 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -134.84 40.38 2.93 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' B' ' 75' ' ' HIS . 28.1 p-80 -123.45 109.06 13.38 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' B' ' 77' ' ' HIS . 74.9 t60 -173.19 -84.09 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.551 -0.718 . . . . 0.0 109.323 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' B' ' 76' ' ' HIS . 59.8 m80 . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.432 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.2 mmt . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.463 0.649 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -78.25 166.38 22.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.473 -0.767 . . . . 0.0 109.662 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.4 tp -62.07 -44.34 96.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.435 -0.791 . . . . 0.0 109.436 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -61.75 -43.57 98.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.882 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -62.98 -48.65 77.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.0 110.279 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.604 ' OE1' HD13 ' B' ' 61' ' ' LEU . 1.6 tt0 -71.11 -38.12 72.34 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 110.08 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.29 -43.39 92.57 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.204 -0.935 . . . . 0.0 108.798 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.86 -40.5 95.57 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.43 -0.794 . . . . 0.0 108.952 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.07 -46.76 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.0 109.882 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 3.3 mp0 -55.33 -42.73 74.18 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.005 -1.059 . . . . 0.0 110.226 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -59.46 -46.1 89.74 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.234 -0.916 . . . . 0.0 109.183 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.1 mt -75.59 -26.71 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.384 -0.822 . . . . 0.0 109.629 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -62.99 -42.35 99.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.465 -0.772 . . . . 0.0 109.396 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' OG ' ' A' ' 15' ' ' SER . 84.2 mt -86.84 -1.6 57.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.334 -0.854 . . . . 0.0 109.13 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.472 ' O ' ' OG ' ' A' ' 15' ' ' SER . 6.1 p 65.65 67.73 0.49 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.39 -0.819 . . . . 0.0 110.142 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -116.45 134.52 54.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.297 -0.877 . . . . 0.0 109.5 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 p -84.35 156.17 22.0 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -39.53 65.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.712 -0.618 . . . . 0.0 109.823 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' CG ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -64.2 -44.27 92.48 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.444 -0.785 . . . . 0.0 110.002 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.478 ' N ' ' CG ' ' A' ' 19' ' ' LYS . 77.8 p -61.85 -46.49 89.24 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 109.638 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.4 t -68.54 -45.14 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.373 -0.83 . . . . 0.0 110.205 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.09 99.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.346 -0.847 . . . . 0.0 110.533 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.45 -46.44 69.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 110.048 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -68.42 -37.45 80.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.282 -0.886 . . . . 0.0 109.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 70.4 mmm -62.99 -36.72 84.47 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.354 -0.841 . . . . 0.0 109.368 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.95 20.45 16.35 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.41 161.49 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.725 -0.868 . . . . 0.0 109.681 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -69.68 154.81 41.45 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.747 0.784 . . . . 0.0 110.455 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -61.83 -35.82 79.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.82 -40.2 96.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.346 -0.846 . . . . 0.0 109.3 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.94 -42.14 97.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.302 -0.874 . . . . 0.0 109.096 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 tp -63.27 -40.32 97.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.403 -0.81 . . . . 0.0 109.263 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.7 m -59.73 -36.8 77.3 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.373 -0.83 . . . . 0.0 109.492 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -61.41 -40.4 94.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 0.0 109.267 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.4 mt -63.15 -42.92 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.201 -0.937 . . . . 0.0 109.292 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.19 -40.5 64.46 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.41 -0.806 . . . . 0.0 108.978 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -103.21 38.6 1.73 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.559 -0.713 . . . . 0.0 109.142 178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 p -63.36 158.85 19.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.319 -0.863 . . . . 0.0 110.127 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.462 ' O ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -108.44 124.17 49.99 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.649 0.738 . . . . 0.0 109.455 -179.722 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 39' ' ' GLU . 34.0 p 49.0 176.15 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.538 0.685 . . . . 0.0 110.722 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.98 131.28 23.53 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.465 -0.772 . . . . 0.0 109.262 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HG2' HG11 ' B' ' 44' ' ' VAL . 52.0 Cg_exo -48.19 144.27 13.03 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.006 1.804 . . . . 0.0 113.571 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.25 -30.44 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.636 -0.665 . . . . 0.0 109.526 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.25 -33.29 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.207 -0.933 . . . . 0.0 109.384 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.38 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.893 . . . . 0.0 109.253 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.82 -37.04 82.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.879 . . . . 0.0 108.984 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.59 -40.03 78.11 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.67 -43.2 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.242 -0.911 . . . . 0.0 108.729 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.1 72.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.469 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.61 -47.77 83.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.029 . . . . 0.0 109.297 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 2.6 mm? -64.04 -41.15 97.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.4 -0.813 . . . . 0.0 109.26 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HE ' HD21 ' A' ' 58' ' ' LEU . 34.5 ttm180 -61.72 -41.35 97.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.293 -0.88 . . . . 0.0 108.939 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.6 t -56.24 -19.75 15.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.13 4.72 53.34 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.151 -0.968 . . . . 0.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 22.54 59.34 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 51' ' ' LEU . 96.1 t -67.68 132.81 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.462 -1.022 . . . . 0.0 109.436 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -78.32 76.14 4.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.598 -0.689 . . . . 0.0 110.094 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.478 HD21 ' HE ' ' A' ' 52' ' ' ARG . 2.3 pp -90.54 -18.63 24.92 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.8 p-10 -61.24 -42.66 99.0 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -35.14 77.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.486 -0.759 . . . . 0.0 109.304 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.1 tt -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.456 -0.778 . . . . 0.0 109.315 -179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -70.48 -34.47 72.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.271 -0.893 . . . . 0.0 109.718 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 29.6 t70 -59.81 -35.03 73.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.403 -0.811 . . . . 0.0 110.03 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -70.0 -38.21 75.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.971 -1.081 . . . . 0.0 109.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.6 mt -79.09 -74.46 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.337 -0.852 . . . . 0.0 110.898 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 67' ' ' VAL . 33.4 mt 48.32 -119.9 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.316 -0.865 . . . . 0.0 109.256 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 66' ' ' ILE . 51.9 t -118.21 133.74 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.509 -0.744 . . . . 0.0 109.844 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 m120 56.82 168.9 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.626 0.727 . . . . 0.0 110.558 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -81.79 157.15 24.58 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.657 0.741 . . . . 0.0 110.499 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' GLU . 69.1 mt -50.73 158.46 0.65 Allowed 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.879 0.847 . . . . 0.0 110.642 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.498 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -52.39 -172.41 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.737 0.779 . . . . 0.0 110.186 -179.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.484 ' H ' ' CD2' ' A' ' 72' ' ' HIS . 45.4 m-70 -47.31 93.62 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 71' ' ' GLU . 30.8 t60 -68.63 135.1 50.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.49 -0.756 . . . . 0.0 110.001 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -78.3 151.58 32.89 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.493 -0.755 . . . . 0.0 109.535 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.67 128.59 34.5 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.343 -0.848 . . . . 0.0 109.303 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -100.25 122.57 43.27 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.339 -0.851 . . . . 0.0 109.978 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.3 t60 . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.579 179.316 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mmm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -72.98 150.11 42.74 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.553 -0.717 . . . . 0.0 110.176 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.6 mp -63.01 -43.97 97.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 0.0 109.362 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t -59.41 -34.09 72.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.578 -0.701 . . . . 0.0 109.636 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.625 ' O ' HG23 ' B' ' 9' ' ' VAL . 37.8 t30 -60.24 -36.75 78.45 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.463 -0.773 . . . . 0.0 109.384 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -77.6 -31.2 52.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.769 -1.207 . . . . 0.0 110.313 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.61 -45.16 95.05 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.018 -1.051 . . . . 0.0 109.99 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -72.96 -38.49 66.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.101 -0.999 . . . . 0.0 109.356 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.625 HG23 ' O ' ' B' ' 5' ' ' ASN . 72.4 t -60.79 -51.2 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.349 -0.845 . . . . 0.0 109.997 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -60.36 -32.96 71.77 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 120.689 -1.257 . . . . 0.0 109.04 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -62.14 -50.0 73.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.373 -0.83 . . . . 0.0 109.083 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -69.06 -43.68 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.836 -0.54 . . . . 0.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -61.77 -40.55 95.59 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.11 -0.994 . . . . 0.0 109.579 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.3 mt -85.84 -4.93 59.29 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.6 m 38.48 47.19 1.05 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.292 0.568 . . . . 0.0 110.136 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.441 ' O ' ' NH1' ' B' ' 11' ' ' ARG . 2.4 pp -85.0 162.85 19.21 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.295 -0.878 . . . . 0.0 109.606 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.5 p -90.69 123.96 34.71 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.298 -0.876 . . . . 0.0 110.292 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.71 78.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.616 -0.678 . . . . 0.0 109.68 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.635 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 23.7 mtpp -60.04 -44.73 94.45 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.297 -0.877 . . . . 0.0 109.331 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 48.6 m -62.16 -41.2 98.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.376 -0.827 . . . . 0.0 109.655 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.424 HG12 ' SD ' ' B' ' 25' ' ' MET . 77.5 t -60.98 -48.54 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.889 . . . . 0.0 110.015 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.59 -31.17 72.06 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.296 -0.878 . . . . 0.0 109.904 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -69.74 -55.09 10.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 110.575 -179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.02 -38.02 78.99 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 110.135 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.424 ' SD ' HG12 ' B' ' 21' ' ' VAL . 74.2 mtp -63.58 -38.88 92.8 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.968 -1.083 . . . . 0.0 109.476 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.97 25.84 13.82 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -123.73 161.0 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.546 -0.973 . . . . 0.0 109.544 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.2 p -75.08 160.0 31.02 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.814 0.816 . . . . 0.0 110.374 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.635 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 6.6 mtm180 -64.49 -34.14 77.52 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -52.85 -46.44 67.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -0.869 . . . . 0.0 109.138 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.49 -40.91 76.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.61 -45.34 93.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.201 -0.937 . . . . 0.0 109.454 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.12 -34.58 77.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.374 -0.829 . . . . 0.0 109.331 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -60.83 -39.98 91.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.442 -0.786 . . . . 0.0 108.899 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.0 -42.86 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.442 -0.786 . . . . 0.0 109.387 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -58.09 -43.66 87.18 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.919 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.43 ' O ' ' OE1' ' B' ' 39' ' ' GLU . 16.0 pt20 -96.32 34.92 1.53 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.194 -0.941 . . . . 0.0 109.141 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.1 p -70.39 134.0 47.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.407 -0.808 . . . . 0.0 110.015 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' B' ' 39' ' ' GLU . 0.3 OUTLIER -92.15 -70.99 0.66 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.549 -0.719 . . . . 0.0 109.402 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 5.2 t -104.97 131.34 52.61 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.523 -0.736 . . . . 0.0 109.271 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.82 150.25 47.63 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.454 -0.779 . . . . 0.0 109.611 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.501 ' HB2' HG12 ' B' ' 44' ' ' VAL . 38.6 Cg_endo -67.64 155.49 69.9 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.668 2.245 . . . . 0.0 112.927 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 20.8 m -64.48 -30.08 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.619 -0.675 . . . . 0.0 110.333 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.6 HG11 ' HG2' ' A' ' 42' ' ' PRO . 12.0 p -47.42 -35.13 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.204 -0.935 . . . . 0.0 109.319 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.4 ' N ' HG13 ' B' ' 44' ' ' VAL . 86.6 t -65.72 -47.03 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 108.806 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -64.2 -36.79 85.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.022 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -57.82 -41.78 82.96 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -42.91 97.18 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.36 77.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.523 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 16.9 t80 -59.78 -48.14 82.87 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.66 -38.06 86.06 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -54.89 -42.35 72.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.396 -0.815 . . . . 0.0 108.996 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 93.3 p -58.12 -30.48 66.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.511 -0.743 . . . . 0.0 109.538 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.523 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 58.7 mttp -85.02 -3.72 58.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.223 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.91 29.66 58.75 Favored Glycine 0 N--CA 1.493 2.458 0 C-N-CA 120.005 -1.093 . . . . 0.0 110.936 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.421 ' HB ' HD23 ' B' ' 58' ' ' LEU . 58.4 t -63.66 140.85 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 120.929 -1.336 . . . . 0.0 109.222 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.61 54.13 0.06 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.707 -0.621 . . . . 0.0 111.952 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.421 HD23 ' HB ' ' B' ' 56' ' ' VAL . 4.0 mm? -65.69 -39.08 90.91 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.967 -1.083 . . . . 0.0 109.314 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.437 HD22 ' H ' ' B' ' 59' ' ' ASN . 2.6 p30 -52.93 -44.91 67.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.337 -0.852 . . . . 0.0 109.311 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -36.38 79.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.713 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.604 HD13 ' OE1' ' A' ' 6' ' ' GLU . 53.6 tp -60.73 -47.49 86.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.224 -0.922 . . . . 0.0 109.549 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.418 ' HB2' HH12 ' A' ' 52' ' ' ARG . 18.1 m-85 -68.36 -45.09 73.74 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.665 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' HA ' HD12 ' B' ' 66' ' ' ILE . 85.5 m-20 -53.92 -30.73 47.63 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.224 -0.923 . . . . 0.0 109.628 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -77.07 -20.74 55.41 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' B' ' 62' ' ' PHE . 96.7 mt -96.42 -26.7 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.429 -0.794 . . . . 0.0 109.643 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' B' ' 63' ' ' ASP . 87.1 mt -63.54 -43.65 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.074 -1.016 . . . . 0.0 109.738 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 t -74.7 -123.83 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.905 . . . . 0.0 109.684 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.604 HD22 ' C ' ' B' ' 68' ' ' ASN . 0.1 OUTLIER -171.16 -167.47 0.55 Allowed 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.291 -0.88 . . . . 0.0 109.527 -179.734 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.402 ' C ' ' OE2' ' B' ' 71' ' ' GLU . 72.2 mmtt -87.45 34.52 0.7 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.46 -0.775 . . . . 0.0 109.655 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.567 ' H ' ' ND2' ' B' ' 68' ' ' ASN . 3.9 tt -118.05 113.3 21.42 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.581 -0.699 . . . . 0.0 109.273 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.509 ' N ' HD23 ' B' ' 70' ' ' LEU . 0.4 OUTLIER -166.18 31.31 0.05 OUTLIER 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 56.19 55.61 6.59 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.366 0.603 . . . . 0.0 109.494 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.554 ' C ' ' H ' ' B' ' 75' ' ' HIS . 26.8 t-80 -64.93 -39.95 94.3 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' B' ' 75' ' ' HIS . 59.9 m-70 53.63 2.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.884 -0.51 . . . . 0.0 110.098 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.554 ' H ' ' C ' ' B' ' 73' ' ' HIS . 5.7 t-80 36.21 78.97 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.758 -0.589 . . . . 0.0 110.353 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' B' ' 76' ' ' HIS . 0.2 OUTLIER -88.66 145.27 25.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.137 -0.977 . . . . 0.0 109.465 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.438 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mmm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HG2' ' H ' ' A' ' 5' ' ' ASN . 2.3 pt-20 -64.73 -176.13 0.23 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.572 -0.705 . . . . 0.0 109.893 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.2 -44.0 96.58 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.4 t -66.32 -28.25 68.53 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.296 -0.877 . . . . 0.0 110.493 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.469 ' H ' ' HG2' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -62.88 -48.07 80.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.28 -0.887 . . . . 0.0 110.215 -179.097 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -67.43 -31.34 71.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.59 -37.81 85.25 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -71.41 -34.26 70.17 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.055 -1.028 . . . . 0.0 110.008 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t -61.01 -49.07 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.235 -0.916 . . . . 0.0 110.517 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.53 -38.97 85.01 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.243 -0.911 . . . . 0.0 109.572 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 23.6 tpt85 -58.86 -48.02 82.85 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.83 -41.97 88.49 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.649 -0.657 . . . . 0.0 109.474 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HG3' HH11 ' A' ' 13' ' ' ARG . 1.1 tpt85 -52.5 -44.89 65.95 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.416 -0.802 . . . . 0.0 109.836 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.4 -1.88 58.23 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 108.609 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.4 p 43.02 51.41 5.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.67 -0.643 . . . . 0.0 109.39 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.509 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 64.5 mt -80.83 174.1 11.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.47 -0.769 . . . . 0.0 110.216 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -109.17 123.21 48.85 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.617 0.723 . . . . 0.0 109.799 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.7 86.97 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.537 -0.727 . . . . 0.0 109.179 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.97 -42.8 99.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.556 -0.715 . . . . 0.0 109.557 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 t -60.83 -43.88 97.65 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.321 -0.862 . . . . 0.0 109.686 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.442 HG22 ' CZ ' ' B' ' 50' ' ' PHE . 96.3 t -60.26 -43.4 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 0.0 109.351 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.3 73.55 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -65.32 -42.89 92.49 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.122 -0.987 . . . . 0.0 110.019 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.77 -44.3 61.74 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 109.423 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 72.3 mmm -64.7 -38.93 92.66 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.739 -0.6 . . . . 0.0 109.551 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.08 28.76 19.7 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.8 pt -123.69 165.74 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.151 0 O-C-N 121.525 -0.985 . . . . 0.0 109.968 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.0 m -67.24 150.94 48.39 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.528 -0.732 . . . . 0.0 110.386 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -61.4 -41.01 96.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -58.67 -39.68 81.35 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.301 -0.874 . . . . 0.0 109.236 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -58.79 -45.95 88.7 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.336 -0.853 . . . . 0.0 108.961 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.86 -41.54 97.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.316 -0.865 . . . . 0.0 109.161 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.01 -33.06 73.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.578 -0.701 . . . . 0.0 109.367 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' O ' ' N ' ' A' ' 38' ' ' SER . 27.9 t-20 -62.23 -38.15 88.13 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.407 -0.808 . . . . 0.0 109.048 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.0 -43.93 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.432 -0.793 . . . . 0.0 109.052 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -65.09 -31.74 73.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.374 -0.828 . . . . 0.0 109.402 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -100.12 1.46 42.19 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.333 -0.855 . . . . 0.0 109.196 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 34' ' ' ASN . 26.4 t -67.11 150.69 48.81 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.461 -0.775 . . . . 0.0 110.472 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 36.8 tt0 -60.34 -127.62 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.414 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 p -83.01 169.59 15.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.474 -0.766 . . . . 0.0 110.37 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.1 152.02 95.88 Favored Pre-proline 0 C--N 1.302 -1.462 0 O-C-N 121.408 -0.808 . . . . 0.0 109.721 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.43 156.68 65.16 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.809 2.339 . . . . 0.0 112.655 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 43' ' ' VAL . 3.3 m -64.53 -33.48 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.434 -0.791 . . . . 0.0 110.085 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -49.03 -36.69 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.063 -1.023 . . . . 0.0 109.234 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.8 t -64.45 -44.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.0 108.938 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.57 -36.55 84.16 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.323 -0.86 . . . . 0.0 109.034 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.4 ' OH ' ' NE ' ' B' ' 11' ' ' ARG . 8.7 t80 -58.22 -42.51 86.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.419 HG23 HD22 ' A' ' 58' ' ' LEU . 96.3 mt -62.54 -43.11 98.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.41 74.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.273 -0.892 . . . . 0.0 109.357 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -61.06 -50.18 74.36 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.161 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -67.39 -41.44 84.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.324 -0.86 . . . . 0.0 109.72 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -64.5 -42.38 95.86 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.63 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.2 m -58.6 -20.4 46.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.455 -0.778 . . . . 0.0 109.685 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HZ1' HD13 ' B' ' 16' ' ' LEU . 98.9 mttt -89.52 10.68 21.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.29 -0.881 . . . . 0.0 109.114 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.486 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 79.66 19.26 71.29 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' LEU . 82.6 t -69.63 -43.3 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.077 -1.249 . . . . 0.0 109.593 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 55' ' ' GLY . 2.0 m-20 60.75 97.71 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 121.572 0.701 . . . . 0.0 109.948 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 58' ' ' LEU . 2.2 mp -90.92 -2.22 57.75 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -55.52 -39.61 70.74 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.29 67.96 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.616 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.95 -42.94 99.69 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.468 -0.77 . . . . 0.0 110.137 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -64.83 -36.23 83.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.47 -0.769 . . . . 0.0 109.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.71 -31.55 71.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -58.83 -49.7 76.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.177 -0.952 . . . . 0.0 109.386 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -67.22 -43.62 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.366 -0.834 . . . . 0.0 109.679 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.618 HG22 ' N ' ' A' ' 67' ' ' VAL . 96.3 mt -71.44 167.39 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.553 -0.717 . . . . 0.0 109.993 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.618 ' N ' HG22 ' A' ' 66' ' ' ILE . 14.5 p -67.8 34.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.343 -0.848 . . . . 0.0 110.039 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.87 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.3 OUTLIER 67.25 -50.99 0.49 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.926 -0.484 . . . . 0.0 110.159 179.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' VAL . 59.6 tttm 63.74 -13.07 0.09 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.537 -0.727 . . . . 0.0 109.426 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.595 ' H ' ' C ' ' A' ' 68' ' ' ASN . 51.9 tp -100.71 127.76 47.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.243 -0.911 . . . . 0.0 109.407 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 12.5 pt-20 -74.5 53.55 0.55 Allowed 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.526 -0.734 . . . . 0.0 109.55 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 52.19 -104.55 0.19 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.296 -0.877 . . . . 0.0 110.75 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 74' ' ' HIS . 2.2 t-80 59.68 46.41 11.77 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.729 -0.607 . . . . 0.0 109.533 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 73' ' ' HIS . 2.2 m-70 -132.23 91.64 2.98 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.368 -0.832 . . . . 0.0 109.031 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -68.85 -88.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -0.82 . . . . 0.0 109.56 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -169.24 72.63 0.08 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.766 -179.106 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' B' ' 5' ' ' ASN . 0.7 OUTLIER 72.27 -131.5 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.744 -0.598 . . . . 0.0 110.477 178.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' B' ' 2' ' ' GLU . 20.1 mt -40.8 -40.41 1.34 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.991 -1.068 . . . . 0.0 109.595 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.9 m -61.61 -38.49 87.82 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.308 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' B' ' 2' ' ' GLU . 13.1 t30 -60.09 -46.56 89.19 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.159 -0.963 . . . . 0.0 110.144 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' B' ' 10' ' ' GLU . 96.5 mt-10 -53.71 -54.01 44.01 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.09 -1.006 . . . . 0.0 109.642 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.8 mp -62.46 -38.74 90.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.403 -0.811 . . . . 0.0 109.841 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.447 ' HZ2' HD11 ' B' ' 12' ' ' ILE . 3.5 tmtt? -63.92 -39.89 95.22 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.121 -0.987 . . . . 0.0 109.174 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' B' ' 10' ' ' GLU . 41.4 t -56.49 -67.47 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.099 -1.001 . . . . 0.0 109.312 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -40.5 -44.37 2.04 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.79 -0.569 . . . . 0.0 109.974 -179.433 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' SER . 7.1 tpp85 -54.8 -44.95 74.25 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.188 -0.945 . . . . 0.0 108.664 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.447 HD11 ' HZ2' ' B' ' 8' ' ' LYS . 97.0 mt -65.72 -43.33 93.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.653 -0.654 . . . . 0.0 109.568 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -59.24 -46.06 89.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.346 -0.846 . . . . 0.0 110.449 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.2 mt -95.81 -0.54 51.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.094 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' ARG . 34.8 t 38.41 60.29 1.33 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 109.826 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.501 HD13 ' HZ1' ' A' ' 54' ' ' LYS . 60.1 mt -85.46 156.88 20.63 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.55 -0.719 . . . . 0.0 109.89 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -101.37 135.16 43.33 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.433 -0.792 . . . . 0.0 110.147 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.02 78.84 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.554 -0.716 . . . . 0.0 109.553 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.13 -42.81 99.61 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.386 -0.821 . . . . 0.0 109.882 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.432 ' O ' ' OE1' ' B' ' 24' ' ' GLU . 11.7 t -61.73 -46.13 90.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.196 -0.94 . . . . 0.0 109.987 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.74 -45.83 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.195 -0.94 . . . . 0.0 109.74 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.47 -29.05 70.25 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.393 -0.817 . . . . 0.0 109.285 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -69.24 -34.94 75.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.318 -0.864 . . . . 0.0 109.49 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' B' ' 20' ' ' SER . 4.9 mp0 -68.31 -67.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.336 -0.853 . . . . 0.0 109.635 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.1 mtm -65.44 -39.5 92.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.114 -0.991 . . . . 0.0 109.66 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 48.75 3.11 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -120.8 161.56 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.509 -0.994 . . . . 0.0 109.687 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -67.14 150.17 49.51 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.676 0.751 . . . . 0.0 110.376 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -62.4 -34.7 77.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.245 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -56.01 -43.02 77.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -64.5 -48.92 73.38 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.283 -0.886 . . . . 0.0 109.618 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.72 -43.48 96.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.0 109.924 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 t -62.2 -33.23 74.16 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.382 -0.824 . . . . 0.0 109.524 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' B' ' 38' ' ' SER . 41.0 t-20 -60.91 -40.65 93.94 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.35 -42.93 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.313 -0.867 . . . . 0.0 109.179 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.05 -34.76 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.365 -0.834 . . . . 0.0 110.038 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -113.45 17.12 18.64 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.4 -0.813 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.506 ' N ' ' O ' ' B' ' 34' ' ' ASN . 3.6 m -67.14 148.02 52.36 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.221 -0.925 . . . . 0.0 109.844 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 40' ' ' THR . 29.6 mp0 -89.8 108.02 19.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.507 -0.746 . . . . 0.0 109.574 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.567 HG22 ' N ' ' B' ' 41' ' ' ALA . 64.0 m 55.38 163.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.502 0.668 . . . . 0.0 110.61 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.567 ' N ' HG22 ' B' ' 40' ' ' THR . . . -85.94 153.33 57.39 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.553 -0.717 . . . . 0.0 109.774 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -69.3 161.31 46.39 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 122.905 2.404 . . . . 0.0 112.991 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.407 ' H ' HG22 ' B' ' 43' ' ' VAL . 14.3 m -57.74 -18.25 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.493 -0.754 . . . . 0.0 109.684 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.07 -44.88 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.131 -0.98 . . . . 0.0 109.254 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.41 -46.81 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.296 -0.877 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.65 -38.06 89.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.483 -0.76 . . . . 0.0 109.395 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -57.65 -41.04 80.67 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.99 -44.02 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.62 -34.12 68.95 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 109.283 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.442 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 2.8 t80 -61.78 -48.04 82.43 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.321 -0.862 . . . . 0.0 108.68 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.92 -42.35 97.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.461 -0.774 . . . . 0.0 109.561 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -64.29 -38.11 89.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.343 -0.848 . . . . 0.0 109.216 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.7 t -59.05 -17.79 28.9 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.493 -0.754 . . . . 0.0 109.528 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -97.38 2.92 51.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.35 -0.844 . . . . 0.0 108.837 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.07 23.72 63.07 Favored Glycine 0 N--CA 1.49 2.259 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.698 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -63.25 -18.91 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.07 -1.253 . . . . 0.0 109.155 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' B' ' 59' ' ' ASN . 80.4 m-20 59.25 51.46 6.84 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.54 HD11 HD22 ' B' ' 61' ' ' LEU . 13.1 tp -61.29 -0.8 0.4 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.576 -0.703 . . . . 0.0 109.484 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' B' ' 57' ' ' ASP . 3.4 m120 -62.0 -40.98 97.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.375 -0.828 . . . . 0.0 109.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.78 87.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.0 110.213 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.54 HD22 HD11 ' B' ' 58' ' ' LEU . 7.2 tp -61.98 -46.51 88.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.224 -0.922 . . . . 0.0 109.702 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -64.06 -45.97 86.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.224 -0.922 . . . . 0.0 109.336 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' B' ' 67' ' ' VAL . 28.4 t70 -61.82 -33.15 73.63 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -50.63 71.62 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.109 -0.994 . . . . 0.0 108.617 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.43 -44.13 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.237 -0.914 . . . . 0.0 109.508 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' B' ' 68' ' ' ASN . 95.6 mt -74.55 -17.09 16.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.519 -0.738 . . . . 0.0 109.703 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 63' ' ' ASP . 3.4 t 63.52 -69.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.669 -0.644 . . . . 0.0 109.268 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 66' ' ' ILE . 5.8 t-20 64.33 136.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.648 -0.658 . . . . 0.0 109.985 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.41 78.56 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 109.04 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 68' ' ' ASN . 4.9 tp -86.55 -6.09 58.98 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.597 -0.689 . . . . 0.0 109.181 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 52.77 -110.49 0.53 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.274 -0.891 . . . . 0.0 108.957 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -171.84 43.61 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.093 -1.004 . . . . 0.0 108.778 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -65.23 -33.64 76.47 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -84.7 96.28 9.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.162 -0.961 . . . . 0.0 109.908 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -88.67 -48.94 7.17 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -164.78 132.65 3.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.351 -0.843 . . . . 0.0 109.418 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 118.002 -0.999 . . . . 0.0 108.98 179.722 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttm . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -77.38 172.08 13.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.242 -0.911 . . . . 0.0 110.143 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.13 -45.24 94.35 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.388 -0.82 . . . . 0.0 109.739 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 t -65.14 -33.9 77.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.797 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.471 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.4 OUTLIER -59.35 -46.94 87.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.092 -1.005 . . . . 0.0 109.514 -179.144 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.7 -31.64 68.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.069 -1.019 . . . . 0.0 108.962 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.52 -43.45 98.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -62.69 -39.54 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.32 -43.45 93.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 C-N-CA 119.871 -0.731 . . . . 0.0 109.16 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.75 -50.69 67.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.995 -1.066 . . . . 0.0 109.294 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 15' ' ' SER . 3.4 ttp180 -61.56 -41.82 97.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 109.041 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.45 -44.07 98.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.947 -1.096 . . . . 0.0 109.466 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -61.44 -44.68 96.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.17 -0.956 . . . . 0.0 109.639 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.7 mt -92.28 -0.58 57.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.117 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' ARG . 4.5 p 40.7 46.76 2.31 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.677 -0.64 . . . . 0.0 109.327 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 tp -79.97 157.0 26.94 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.438 -0.789 . . . . 0.0 110.025 -178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -101.9 137.52 40.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.449 -0.782 . . . . 0.0 110.343 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.51 87.79 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.595 -0.691 . . . . 0.0 109.797 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.64 -43.62 98.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.382 -0.824 . . . . 0.0 109.722 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -60.61 -45.41 94.13 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.163 -0.96 . . . . 0.0 109.886 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.419 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 73.7 t -66.35 -43.83 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.314 -0.866 . . . . 0.0 110.215 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.62 72.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 110.533 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.41 -46.4 66.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.041 -1.037 . . . . 0.0 110.701 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.36 -48.66 80.81 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.168 -0.958 . . . . 0.0 109.697 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.419 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 81.0 mtp -62.78 -38.61 91.31 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.078 -1.013 . . . . 0.0 109.985 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.37 19.14 9.06 Favored Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.086 -1.605 . . . . 0.0 109.086 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 pt -123.83 162.97 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.723 -0.869 . . . . 0.0 109.444 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 165.46 22.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.642 0.734 . . . . 0.0 110.427 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -63.19 -35.57 80.74 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.72 -42.38 97.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.382 -0.824 . . . . 0.0 109.459 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -64.91 -42.33 94.82 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.0 109.586 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.56 -41.08 98.44 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.245 -0.91 . . . . 0.0 109.242 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.9 m -60.53 -33.11 72.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.488 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.78 -42.08 96.8 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.24 -0.913 . . . . 0.0 108.833 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.33 -44.43 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.244 -0.91 . . . . 0.0 109.093 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' NH2' ' A' ' 11' ' ' ARG . 35.3 tt0 -58.8 -22.49 58.5 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -90.95 15.26 11.77 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.3 t -60.0 141.6 55.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.522 -0.737 . . . . 0.0 109.847 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -125.9 -60.25 1.3 Allowed 'General case' 0 N--CA 1.501 2.124 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.0 m -116.41 127.48 54.66 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.37 151.42 46.31 Favored Pre-proline 0 N--CA 1.5 2.059 0 O-C-N 121.075 -1.016 . . . . 0.0 111.57 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.89 151.72 62.85 Favored 'Trans proline' 0 N--CA 1.502 1.972 0 C-N-CA 122.946 2.431 . . . . 0.0 112.852 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' B' ' 35' ' ' ILE . 4.1 m -63.32 -10.3 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.509 -0.744 . . . . 0.0 109.636 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.46 -43.69 91.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.14 -45.44 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.315 -0.866 . . . . 0.0 109.609 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' B' ' 65' ' ' ILE . 67.7 mttm -62.65 -40.46 97.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.346 -0.846 . . . . 0.0 109.754 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -59.12 -39.55 82.65 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.161 -0.962 . . . . 0.0 108.913 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.14 -43.17 97.48 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -34.95 74.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.37 -0.831 . . . . 0.0 109.053 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.26 -49.33 78.05 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.253 -0.904 . . . . 0.0 108.945 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.28 -39.61 68.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.457 -0.777 . . . . 0.0 109.9 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -59.41 -41.79 90.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 109.393 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 m -58.61 -22.27 55.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.441 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -91.46 3.33 55.22 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.278 -0.889 . . . . 0.0 109.312 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 20.86 59.41 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 132.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.984 -1.304 . . . . 0.0 109.03 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 3.4 m-20 -71.38 105.11 3.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.491 -0.756 . . . . 0.0 110.762 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 pp -90.5 -17.08 27.7 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.529 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 1.7 p30 -63.05 -41.29 99.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.539 0.685 . . . . 0.0 109.226 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.3 79.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.328 -0.858 . . . . 0.0 109.782 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 61' ' ' LEU . 11.0 mp -62.14 -40.97 97.73 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.487 -0.758 . . . . 0.0 109.637 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.16 -41.1 70.83 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.044 -1.035 . . . . 0.0 109.764 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -52.43 -40.92 62.77 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.08 -1.012 . . . . 0.0 108.98 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.522 HH11 ' CD ' ' B' ' 6' ' ' GLU . 0.2 OUTLIER -68.63 -37.46 79.75 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.115 -0.991 . . . . 0.0 108.605 179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG22 ' NZ ' ' B' ' 46' ' ' LYS . 96.9 mt -74.75 -69.49 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.322 -0.861 . . . . 0.0 110.314 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.7 pt -74.83 150.22 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.231 -0.918 . . . . 0.0 110.577 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 t 63.45 111.8 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 CA-C-O 121.486 0.66 . . . . 0.0 109.768 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.72 145.11 47.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.463 -0.773 . . . . 0.0 109.974 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 71' ' ' GLU . 70.9 mmtt -100.39 16.42 24.56 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.82 11.56 0.37 Allowed 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 69' ' ' LYS . 37.4 mt-10 -42.87 142.36 0.91 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.65 -0.656 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 9.0 p80 -96.43 63.53 2.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.519 -0.738 . . . . 0.0 109.215 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.54 ' O ' ' N ' ' A' ' 75' ' ' HIS . 3.1 m80 -75.24 -3.55 33.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.457 -0.777 . . . . 0.0 109.138 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 47.96 -89.41 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.456 -0.778 . . . . 0.0 109.918 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.692 ' H ' ' CD2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -55.07 94.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.454 -0.779 . . . . 0.0 109.554 -179.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.65 ' CD2' ' H ' ' A' ' 77' ' ' HIS . 13.1 t-160 -162.72 159.77 24.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.835 . . . . 0.0 109.437 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.65 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 4.0 t-80 . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.256 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -76.45 166.83 22.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.336 -0.853 . . . . 0.0 110.676 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.38 -44.33 96.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.469 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 36' ' ' GLU . 5.1 t -67.53 -33.16 74.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.29 -0.881 . . . . 0.0 109.95 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -59.95 -47.25 86.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 109.588 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.522 ' CD ' HH11 ' A' ' 64' ' ' ARG . 44.3 mt-10 -73.85 -34.75 64.65 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.128 -0.982 . . . . 0.0 109.958 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 tp -61.49 -45.72 93.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.981 . . . . 0.0 109.452 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.99 -43.17 93.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.91 . . . . 0.0 109.677 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.48 -44.59 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.169 -0.957 . . . . 0.0 109.899 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.55 -34.21 70.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.136 -0.978 . . . . 0.0 108.485 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -60.85 -45.34 94.92 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.035 . . . . 0.0 108.453 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.07 -43.12 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.476 -0.765 . . . . 0.0 109.717 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 63.1 mtp85 -59.49 -41.03 88.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.0 109.374 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -90.41 0.2 57.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.317 -0.865 . . . . 0.0 108.977 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 5.0 p 43.77 64.48 1.25 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 109.812 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -112.08 147.84 35.18 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.236 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.429 ' OG1' ' OG ' ' B' ' 20' ' ' SER . 14.4 p -100.12 140.16 34.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.493 -0.754 . . . . 0.0 109.876 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.82 91.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.445 -0.784 . . . . 0.0 109.645 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.308 -0.87 . . . . 0.0 109.835 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.429 ' OG ' ' OG1' ' B' ' 17' ' ' THR . 58.2 m -59.95 -45.21 93.37 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.164 -0.96 . . . . 0.0 110.219 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.2 -46.67 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.06 -1.025 . . . . 0.0 109.798 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.81 -35.78 82.21 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.272 -0.893 . . . . 0.0 109.911 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -63.77 -54.21 38.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.262 -0.899 . . . . 0.0 110.287 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.83 -40.64 91.97 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.186 -0.946 . . . . 0.0 109.03 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 62.7 mmm -62.98 -38.91 93.03 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.586 -0.696 . . . . 0.0 109.562 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.07 32.9 8.06 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.65 162.66 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.55 -0.971 . . . . 0.0 109.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -65.44 148.2 52.12 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.658 0.742 . . . . 0.0 110.303 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -61.44 -40.8 95.8 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.09 -37.69 86.03 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.78 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.418 ' NE2' HG11 ' A' ' 43' ' ' VAL . 59.1 tt0 -61.37 -41.56 97.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.144 -0.973 . . . . 0.0 109.032 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.588 HD12 HD12 ' B' ' 35' ' ' ILE . 55.4 tp -64.29 -39.84 94.74 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.262 -0.899 . . . . 0.0 109.024 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 83.1 m -58.86 -33.2 70.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 109.409 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -62.93 -39.71 95.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.902 -1.124 . . . . 0.0 109.029 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.588 HD12 HD12 ' B' ' 32' ' ' LEU . 96.6 mt -62.1 -45.33 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.306 -0.871 . . . . 0.0 110.836 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.402 ' O ' ' OG ' ' B' ' 4' ' ' SER . 14.5 pt-20 -81.55 -12.41 58.81 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.844 -1.16 . . . . 0.0 109.874 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -104.18 18.71 21.53 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -66.07 158.37 28.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.499 -0.751 . . . . 0.0 109.932 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -116.14 -49.76 2.68 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.766 -0.584 . . . . 0.0 109.773 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -121.19 130.75 53.85 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 109.065 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.06 146.18 58.32 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.238 -0.913 . . . . 0.0 109.554 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.16 152.6 67.3 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.374 2.049 . . . . 0.0 112.607 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.413 ' H ' HG22 ' B' ' 43' ' ' VAL . 11.1 m -65.63 -31.06 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.452 -0.78 . . . . 0.0 110.192 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.436 ' H ' HG13 ' B' ' 44' ' ' VAL . 4.2 m -44.11 -36.79 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.423 -0.798 . . . . 0.0 109.846 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.415 ' N ' HG23 ' B' ' 44' ' ' VAL . 93.0 t -62.58 -45.25 99.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.54 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.423 ' NZ ' HG22 ' A' ' 65' ' ' ILE . 67.8 mttm -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.353 -0.842 . . . . 0.0 109.154 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -61.86 -44.81 96.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.371 -0.831 . . . . 0.0 109.311 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.43 -43.29 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.0 109.271 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.86 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.297 -0.877 . . . . 0.0 109.064 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.66 -45.37 94.37 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.1 mt -63.16 -40.88 98.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.198 -0.939 . . . . 0.0 109.307 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -63.56 -36.68 84.6 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.327 -0.858 . . . . 0.0 109.474 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.4 m -56.8 -34.52 67.76 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.324 -0.86 . . . . 0.0 109.348 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.23 -0.11 56.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.532 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.11 25.32 71.47 Favored Glycine 0 N--CA 1.493 2.446 0 C-N-CA 119.901 -1.142 . . . . 0.0 110.295 179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' B' ' 58' ' ' LEU . 40.7 t -54.58 144.86 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.082 -1.246 . . . . 0.0 109.661 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.87 70.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.9 tp -89.23 -10.94 45.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 108.796 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -62.39 -42.33 99.34 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.35 88.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.669 -0.644 . . . . 0.0 110.394 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.478 HD12 ' N ' ' B' ' 61' ' ' LEU . 11.0 mp -61.24 -44.34 97.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.14 -0.975 . . . . 0.0 109.402 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -66.92 -43.15 84.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 110.004 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.53 -45.71 18.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.287 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -71.45 -41.66 69.16 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.226 -0.921 . . . . 0.0 110.292 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 96.9 mt -63.95 -43.61 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.779 -1.201 . . . . 0.0 109.882 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' B' ' 67' ' ' VAL . 94.5 mt -60.26 85.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.312 -0.868 . . . . 0.0 110.094 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' B' ' 66' ' ' ILE . 4.9 t 58.37 139.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.629 0.728 . . . . 0.0 110.552 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.22 131.95 35.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.319 -0.863 . . . . 0.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -74.94 136.74 41.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.531 -0.73 . . . . 0.0 109.515 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' B' ' 71' ' ' GLU . 95.7 mt -130.68 -91.79 0.43 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.633 -0.667 . . . . 0.0 109.374 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' B' ' 71' ' ' GLU . 0.0 OUTLIER 32.24 -150.8 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 121.188 0.518 . . . . 0.0 110.485 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -104.62 -80.39 0.54 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.391 -0.818 . . . . 0.0 109.192 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 49.1 67.09 0.93 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.638 ' CG ' ' H ' ' B' ' 75' ' ' HIS . 7.0 t60 -85.1 -165.84 1.33 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.407 -0.808 . . . . 0.0 109.902 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.638 ' H ' ' CG ' ' B' ' 74' ' ' HIS . 29.4 m80 52.19 10.36 0.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.303 -0.873 . . . . 0.0 109.016 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.635 ' CG ' ' N ' ' B' ' 77' ' ' HIS . 0.6 OUTLIER -63.67 -133.94 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.368 -0.833 . . . . 0.0 110.13 -179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.635 ' N ' ' CG ' ' B' ' 76' ' ' HIS . 29.0 t-80 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.364 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 ttp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.302 0.572 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 56.85 102.15 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.346 -0.846 . . . . 0.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.8 -41.19 99.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.28 -0.887 . . . . 0.0 109.898 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -60.61 -42.02 95.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.161 -0.962 . . . . 0.0 110.279 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.1 t30 -66.81 -49.66 65.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.02 -1.05 . . . . 0.0 110.094 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' O ' ' OE1' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -59.24 -45.29 91.55 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.55 HD11 HD11 ' B' ' 51' ' ' LEU . 36.4 tp -63.04 -42.35 99.72 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.86 -36.37 83.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.498 -0.751 . . . . 0.0 109.538 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' ASN . 47.1 t -60.98 -45.91 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.201 -0.937 . . . . 0.0 109.462 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -67.25 -36.99 82.75 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.066 -1.021 . . . . 0.0 108.756 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.526 ' NE ' ' OE1' ' A' ' 36' ' ' GLU . 8.8 ttt85 -58.93 -44.36 91.35 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.37 -41.78 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -54.21 -45.54 72.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.533 -0.729 . . . . 0.0 109.412 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -95.88 -2.06 48.13 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.197 -0.94 . . . . 0.0 108.615 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 p 44.33 79.6 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.545 -0.722 . . . . 0.0 109.858 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.2 mt -89.62 157.62 17.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.193 -0.942 . . . . 0.0 109.728 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 p -98.36 128.5 44.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.4 -0.812 . . . . 0.0 109.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.85 85.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.246 -0.909 . . . . 0.0 109.402 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.95 -46.56 87.16 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.235 -0.915 . . . . 0.0 110.033 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 t -64.05 -45.16 90.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.193 -0.942 . . . . 0.0 109.916 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.431 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 61.3 t -63.85 -45.65 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.382 -0.823 . . . . 0.0 110.14 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.37 90.74 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.164 -0.96 . . . . 0.0 110.419 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.46 -46.6 79.22 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.002 -1.061 . . . . 0.0 109.632 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.3 -44.05 69.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.319 -0.863 . . . . 0.0 109.641 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 76.6 mtp -65.42 -38.89 91.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.351 -0.843 . . . . 0.0 109.685 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.93 30.29 13.34 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 pt -125.31 164.98 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.649 -0.912 . . . . 0.0 109.527 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -72.43 153.17 41.55 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.304 -0.872 . . . . 0.0 110.097 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.7 mtm-85 -63.06 -36.27 83.0 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.722 HE21 HD21 ' A' ' 34' ' ' ASN . 68.2 tp60 -61.92 -39.69 92.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.276 -0.89 . . . . 0.0 108.678 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -63.65 -44.65 93.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 44.5 tp -63.42 -42.44 98.72 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.223 -0.923 . . . . 0.0 109.073 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.91 -34.88 78.37 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.294 -0.879 . . . . 0.0 109.682 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.722 HD21 HE21 ' A' ' 30' ' ' GLN . 12.4 m120 -62.22 -41.28 98.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.225 -0.922 . . . . 0.0 109.797 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' B' ' 43' ' ' VAL . 61.3 mt -64.9 -44.85 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.204 -0.935 . . . . 0.0 109.797 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.526 ' OE1' ' NE ' ' A' ' 11' ' ' ARG . 40.0 tt0 -63.16 -22.88 67.16 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.191 -0.943 . . . . 0.0 108.992 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -93.22 -5.64 49.48 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.386 -0.821 . . . . 0.0 109.168 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.7 m -174.75 119.7 0.22 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.293 -0.88 . . . . 0.0 109.398 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -113.22 125.48 54.37 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.479 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 49.9 p -97.48 134.79 40.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.434 -0.791 . . . . 0.0 109.225 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.51 90.44 14.63 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 121.408 -0.808 . . . . 0.0 109.352 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.85 163.82 30.77 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.025 1.816 . . . . 0.0 112.736 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -58.41 -20.72 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.499 -0.751 . . . . 0.0 109.387 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.06 -45.24 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 109.424 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.96 -45.68 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.203 -0.936 . . . . 0.0 109.689 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HZ3' ' HG3' ' B' ' 69' ' ' LYS . 55.8 mttp -62.93 -37.17 85.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.134 -0.979 . . . . 0.0 109.431 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.424 ' OH ' ' NH1' ' B' ' 11' ' ' ARG . 16.4 t80 -55.49 -43.86 76.0 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.23 -44.55 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.458 -0.776 . . . . 0.0 109.359 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' HA ' ' HE ' ' A' ' 52' ' ' ARG . . . -61.58 -31.36 71.4 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.293 -0.879 . . . . 0.0 109.174 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -60.29 -45.39 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.4 -37.68 86.73 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.452 -0.78 . . . . 0.0 109.301 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' A' ' 49' ' ' ALA . 11.2 mtm105 -59.99 -32.92 71.3 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.326 -0.859 . . . . 0.0 109.604 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -54.31 -38.49 66.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.133 -0.98 . . . . 0.0 109.243 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' NZ ' ' CD1' ' B' ' 16' ' ' LEU . 49.2 mtmt -84.57 -0.33 52.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.193 -0.942 . . . . 0.0 109.664 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.9 26.39 45.5 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.671 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.48 133.0 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.912 -1.346 . . . . 0.0 108.634 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -79.68 89.96 5.18 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.349 -0.844 . . . . 0.0 110.27 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.753 ' H ' HD23 ' A' ' 58' ' ' LEU . 1.7 pt? -87.44 -22.22 25.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.399 -0.813 . . . . 0.0 109.319 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -40.57 90.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.84 . . . . 0.0 109.207 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -49.97 72.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.494 -0.754 . . . . 0.0 110.039 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' CD1' ' OE2' ' B' ' 10' ' ' GLU . 93.7 mt -64.02 -44.27 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.133 -0.98 . . . . 0.0 109.406 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -66.47 -46.89 74.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.41 -0.807 . . . . 0.0 110.208 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.05 -32.51 74.09 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.359 -0.838 . . . . 0.0 109.881 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -65.75 -45.16 83.61 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.284 -0.885 . . . . 0.0 109.305 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 66' ' ' ILE . 92.2 mt -75.56 -71.95 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.391 -0.818 . . . . 0.0 111.584 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 65' ' ' ILE . 47.7 mm 41.29 66.53 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.403 -0.811 . . . . 0.0 109.489 -178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 67' ' ' VAL . 14.3 p -106.63 127.66 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.479 -0.763 . . . . 0.0 109.273 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.51 160.91 26.33 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 109.845 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HZ2' ' CE ' ' B' ' 46' ' ' LYS . 43.1 mmtm -62.88 -43.86 97.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.29 -0.881 . . . . 0.0 109.387 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 71' ' ' GLU . 2.2 tt 40.05 69.07 0.33 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.654 -0.654 . . . . 0.0 109.821 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 70' ' ' LEU . 79.4 tt0 39.82 94.39 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.642 -0.662 . . . . 0.0 110.438 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -87.86 166.82 14.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.865 . . . . 0.0 109.179 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -140.67 100.23 3.81 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.243 -0.911 . . . . 0.0 109.103 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.507 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 15.2 p80 -79.67 -25.05 41.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.088 -1.008 . . . . 0.0 108.684 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.507 ' CD2' ' O ' ' A' ' 74' ' ' HIS . 9.8 p80 40.27 26.64 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.853 -0.53 . . . . 0.0 109.936 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.577 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -71.45 61.08 0.33 Allowed 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 122.219 1.009 . . . . 0.0 109.337 -179.274 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' HIS . 33.0 m-70 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.036 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.413 ' SD ' ' OE2' ' B' ' 6' ' ' GLU . 5.7 ttt . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -67.72 126.85 30.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.103 -0.998 . . . . 0.0 110.054 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.11 -40.93 95.21 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.409 -0.807 . . . . 0.0 109.86 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.6 t -57.76 -38.89 76.21 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.237 -0.914 . . . . 0.0 109.021 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -60.97 -39.86 91.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.457 -0.777 . . . . 0.0 109.341 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.413 ' OE2' ' SD ' ' B' ' 1' ' ' MET . 29.5 mm-40 -58.51 -43.42 89.1 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.271 -0.893 . . . . 0.0 109.036 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.415 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.4 mp -62.72 -41.3 99.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 0.0 109.524 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -62.33 -36.6 82.71 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.919 -1.113 . . . . 0.0 109.28 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.34 -46.7 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.084 -1.01 . . . . 0.0 109.561 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.451 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 79.6 mt-10 -63.4 -37.73 88.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.992 -1.068 . . . . 0.0 109.323 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.424 ' NH1' ' OH ' ' A' ' 47' ' ' TYR . 7.0 tpt180 -60.03 -46.73 88.54 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.317 -0.865 . . . . 0.0 109.042 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 59.2 mt -74.17 -35.01 39.57 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -58.3 -46.46 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.381 -0.824 . . . . 0.0 109.397 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' B' ' 15' ' ' SER . 78.6 mt -97.77 -0.06 45.99 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.471 -0.768 . . . . 0.0 109.033 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.413 ' C ' ' O ' ' B' ' 14' ' ' LEU . 5.0 p 41.54 68.51 0.44 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.593 -0.692 . . . . 0.0 109.81 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.444 ' CD1' ' NZ ' ' A' ' 54' ' ' LYS . 53.4 mt -79.02 155.92 28.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.394 -0.816 . . . . 0.0 109.401 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -97.36 140.45 31.8 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.219 -0.926 . . . . 0.0 109.894 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.39 83.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.22 -0.925 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.15 -45.57 94.1 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.295 -0.878 . . . . 0.0 109.852 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t -62.31 -51.55 67.23 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.139 -0.976 . . . . 0.0 110.397 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.0 -45.33 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.09 -1.006 . . . . 0.0 109.831 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.469 ' CB ' ' NH1' ' B' ' 29' ' ' ARG . . . -64.4 -35.77 81.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.287 -0.883 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.97 -52.71 63.87 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.032 -1.043 . . . . 0.0 110.585 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -69.15 -40.56 78.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.841 -1.162 . . . . 0.0 109.73 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 78.1 mmm -64.57 -39.31 93.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.421 -0.8 . . . . 0.0 109.595 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.32 30.86 23.9 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.32 163.56 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.546 -0.973 . . . . 0.0 109.554 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -73.05 163.73 27.73 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.332 -0.855 . . . . 0.0 109.979 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.469 ' NH1' ' CB ' ' B' ' 22' ' ' ALA . 71.1 mmt-85 -64.23 -36.84 85.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.42 -42.33 95.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 109.035 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -63.39 -44.79 93.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.237 -0.915 . . . . 0.0 109.122 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.57 -42.3 98.34 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.365 -0.834 . . . . 0.0 109.464 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . 0.59 ' SG ' ' NE2' ' B' ' 37' ' ' GLN . 0.5 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.278 -0.889 . . . . 0.0 109.521 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -62.34 -41.29 98.46 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.101 -0.999 . . . . 0.0 109.659 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.96 -48.03 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.137 -0.977 . . . . 0.0 109.692 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.56 -32.32 72.15 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.205 -0.935 . . . . 0.0 109.197 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.59 ' NE2' ' SG ' ' B' ' 33' ' ' CYS . 53.1 mt-30 -86.88 -3.18 59.04 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.065 -1.022 . . . . 0.0 109.994 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -171.12 101.55 0.21 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.045 -1.034 . . . . 0.0 109.872 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -91.06 100.11 13.02 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.9 p -68.45 136.91 53.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 0.0 109.763 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.25 82.58 38.39 Favored Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.611 -0.681 . . . . 0.0 109.363 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.91 158.58 42.46 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.24 1.96 . . . . 0.0 112.679 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.409 ' CG2' HD11 ' A' ' 35' ' ' ILE . 7.0 m -50.27 -15.38 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.528 -0.733 . . . . 0.0 110.259 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.426 HG21 ' OE2' ' A' ' 39' ' ' GLU . 99.3 t -60.75 -45.71 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.081 -1.012 . . . . 0.0 109.054 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -61.84 -42.95 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.271 -0.893 . . . . 0.0 108.845 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.416 ' CE ' ' HZ2' ' A' ' 69' ' ' LYS . 69.6 mmtt -60.0 -37.82 80.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.456 -0.778 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -48.51 81.18 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.153 -0.967 . . . . 0.0 108.863 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.92 -43.0 96.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 109.525 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.502 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -51.35 -45.26 62.28 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.191 -0.943 . . . . 0.0 109.371 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.14 -44.42 94.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.169 -0.957 . . . . 0.0 108.991 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.55 HD11 HD11 ' A' ' 7' ' ' LEU . 92.1 mt -62.23 -37.91 87.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.305 -0.872 . . . . 0.0 109.108 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.502 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 69.3 mtm180 -60.06 -29.58 68.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -53.21 -33.79 54.31 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 108.844 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -95.4 -2.84 48.15 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.148 -0.97 . . . . 0.0 109.458 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.56 41.03 25.82 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 58' ' ' LEU . 76.9 t -65.84 134.57 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.255 . . . . 0.0 109.753 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -52.12 86.45 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.491 -0.755 . . . . 0.0 110.147 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 2.5 pp -90.7 -27.8 18.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 109.474 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -63.69 -44.78 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.926 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.417 ' O ' ' NH1' ' B' ' 64' ' ' ARG . . . -70.55 -38.32 74.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.278 -0.889 . . . . 0.0 109.646 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.18 -44.53 96.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.877 . . . . 0.0 109.596 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -68.74 -38.58 80.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.218 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -56.47 -47.82 78.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.906 -1.121 . . . . 0.0 110.66 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' B' ' 60' ' ' ALA . 54.4 mtt85 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.004 -1.06 . . . . 0.0 110.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' B' ' 66' ' ' ILE . 95.5 mt -63.8 -43.09 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.093 -1.005 . . . . 0.0 111.148 -178.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' B' ' 65' ' ' ILE . 86.0 mt -41.04 100.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.137 -0.977 . . . . 0.0 110.715 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' B' ' 68' ' ' ASN . 46.9 t -148.89 -15.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' B' ' 67' ' ' VAL . 3.3 m-20 76.1 142.82 0.08 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.456 0.646 . . . . 0.0 110.605 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.428 ' HG3' ' HZ3' ' A' ' 46' ' ' LYS . 60.0 mttp -65.26 -40.76 94.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.593 -0.692 . . . . 0.0 109.654 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 50.1 mt 57.24 -159.79 0.24 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.542 -0.723 . . . . 0.0 110.03 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.68 120.57 31.07 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -125.22 -172.71 2.64 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.681 -0.637 . . . . 0.0 109.388 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -141.47 134.27 28.76 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.228 -0.92 . . . . 0.0 109.007 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.756 ' H ' ' CD2' ' B' ' 74' ' ' HIS . 1.3 p80 -84.0 136.65 33.97 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.854 -1.153 . . . . 0.0 108.178 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.54 ' N ' ' CD2' ' B' ' 75' ' ' HIS . 1.3 m170 -78.89 -1.28 34.4 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.224 -0.922 . . . . 0.0 108.993 -178.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' B' ' 77' ' ' HIS . 23.0 m170 -48.46 176.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.488 -0.758 . . . . 0.0 110.043 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.447 ' O ' ' O ' ' B' ' 76' ' ' HIS . 10.5 m-70 . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.99 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ptp . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.461 0.648 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 3' ' ' LEU . 37.1 tt0 -82.4 173.0 12.43 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.396 -0.815 . . . . 0.0 109.055 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' B' ' 65' ' ' ILE . 24.1 mt -61.41 -45.42 94.42 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.901 -1.124 . . . . 0.0 109.861 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 t -75.13 -32.37 61.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.232 -0.918 . . . . 0.0 109.215 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.518 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.2 OUTLIER -64.46 -46.59 82.43 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.498 -0.751 . . . . 0.0 109.616 -179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -71.7 -38.17 70.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.339 -0.851 . . . . 0.0 109.842 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 tt -62.63 -41.34 98.97 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.231 -0.918 . . . . 0.0 108.817 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -62.79 -37.61 87.37 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.699 -0.625 . . . . 0.0 109.465 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.53 -44.27 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.132 -0.98 . . . . 0.0 108.784 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -55.96 -40.16 72.82 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 121.342 -0.849 . . . . 0.0 108.828 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.44 -49.68 76.61 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.199 -0.938 . . . . 0.0 108.827 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -65.02 -43.84 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 109.738 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -65.02 -41.12 95.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.404 -0.81 . . . . 0.0 109.748 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.5 mt -84.26 -3.89 58.5 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 p 44.01 69.26 0.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.552 -0.717 . . . . 0.0 110.148 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.599 HD13 ' NZ ' ' B' ' 54' ' ' LYS . 91.6 mt -103.64 147.68 26.92 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.516 -0.74 . . . . 0.0 109.819 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.1 p -98.34 131.74 44.39 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 121.538 0.685 . . . . 0.0 109.78 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -35.52 80.52 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.65 -47.08 85.27 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.755 . . . . 0.0 110.028 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 t -60.11 -45.38 93.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.139 -0.976 . . . . 0.0 110.151 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.507 ' CG1' ' SD ' ' A' ' 25' ' ' MET . 74.2 t -67.48 -42.76 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.347 -0.846 . . . . 0.0 109.928 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.86 85.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.281 -0.887 . . . . 0.0 110.382 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.15 -44.94 95.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.989 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.229 -0.919 . . . . 0.0 110.356 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' ' CG1' ' A' ' 21' ' ' VAL . 92.7 mtp -65.04 -38.25 90.23 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.393 -0.817 . . . . 0.0 109.695 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.82 31.36 7.8 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 pt -124.7 161.45 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.526 -0.985 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.3 p -76.04 162.38 28.09 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.229 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -62.84 -33.73 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.33 -40.48 93.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.307 -0.871 . . . . 0.0 109.54 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -61.08 -41.44 96.64 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.322 -0.861 . . . . 0.0 108.913 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' B' ' 47' ' ' TYR . 14.2 tp -64.65 -41.64 95.97 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.418 -0.801 . . . . 0.0 109.034 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.9 m -66.91 -32.87 74.42 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.536 -0.727 . . . . 0.0 109.9 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' SER . 72.0 m-20 -60.64 -43.71 97.25 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.0 109.924 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.86 -46.18 96.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 120.994 -1.066 . . . . 0.0 109.581 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -77.32 -6.14 52.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.323 -0.861 . . . . 0.0 109.691 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -107.86 -23.81 11.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.416 -0.803 . . . . 0.0 108.888 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' ASN . 14.5 m -82.9 -143.16 0.06 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.349 -0.844 . . . . 0.0 110.256 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.555 ' C ' ' H ' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -87.73 -18.91 28.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.357 -0.839 . . . . 0.0 109.426 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.3 m 60.84 -5.11 0.11 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.72 -0.613 . . . . 0.0 109.81 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.555 ' H ' ' C ' ' A' ' 39' ' ' GLU . . . -131.01 84.95 56.45 Favored Pre-proline 0 N--CA 1.496 1.849 0 O-C-N 121.44 -0.788 . . . . 0.0 109.232 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.01 158.65 52.05 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.314 2.009 . . . . 0.0 112.821 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -56.2 -16.65 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.12 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.8 t -61.32 -42.52 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.65 -44.08 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 109.264 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.69 -39.85 90.0 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.283 -0.886 . . . . 0.0 109.039 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' B' ' 32' ' ' LEU . 0.3 OUTLIER -56.34 -47.88 77.9 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.488 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.6 mt -62.69 -43.45 98.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.693 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.49 94.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.137 -0.977 . . . . 0.0 109.691 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.77 -42.68 99.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.407 -0.808 . . . . 0.0 109.743 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.569 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.1 mt -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.37 -0.831 . . . . 0.0 109.074 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -60.6 -35.97 77.42 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.435 -0.791 . . . . 0.0 109.6 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.1 p -55.56 -22.42 21.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -0.984 . . . . 0.0 109.684 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' CB ' HD13 ' B' ' 14' ' ' LEU . 1.6 mptm? -96.08 -4.27 43.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.077 -1.014 . . . . 0.0 108.841 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.62 28.28 22.21 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.73 135.03 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.127 -1.22 . . . . 0.0 110.261 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 38.0 p30 -74.92 100.1 4.02 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.874 0.845 . . . . 0.0 110.28 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.38 -15.15 29.42 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.687 HD22 ' N ' ' A' ' 59' ' ' ASN . 0.9 OUTLIER -60.44 -49.54 77.17 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.485 -0.76 . . . . 0.0 109.581 -179.022 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.77 -43.2 97.09 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.35 -0.844 . . . . 0.0 110.012 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.19 -44.41 92.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.373 -0.829 . . . . 0.0 109.528 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.04 -43.66 70.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -0.774 . . . . 0.0 109.59 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' A' ' 59' ' ' ASN . 63.9 m-20 -64.58 -32.36 73.97 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -47.5 70.25 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.09 -43.45 88.77 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.61 -0.681 . . . . 0.0 109.208 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' ASP . 61.3 mt -99.03 119.58 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.558 -0.714 . . . . 0.0 109.494 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 67' ' ' VAL . 7.5 p -95.42 110.07 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.67 -0.644 . . . . 0.0 110.101 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.441 ' CG ' ' H ' ' A' ' 69' ' ' LYS . 58.2 t30 -142.27 -149.4 0.27 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.175 -0.953 . . . . 0.0 109.222 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' H ' ' CG ' ' A' ' 68' ' ' ASN . 63.1 tttp -63.7 131.33 47.59 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.317 -0.864 . . . . 0.0 110.456 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.9 tp -90.44 128.58 36.55 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.429 -0.794 . . . . 0.0 109.796 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -89.89 123.75 34.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.402 -0.811 . . . . 0.0 109.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -89.52 176.72 6.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.479 -0.763 . . . . 0.0 110.234 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 70.7 88.96 0.1 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.697 0.76 . . . . 0.0 109.824 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.486 ' H ' ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -92.05 161.68 14.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.643 -0.661 . . . . 0.0 109.694 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -77.52 -129.95 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 72.1 m-70 40.03 45.4 1.62 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.562 0.696 . . . . 0.0 109.439 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 76' ' ' HIS . 19.8 p80 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.183 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.2 ttm . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -84.26 159.3 20.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.298 -0.876 . . . . 0.0 110.235 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.508 ' C ' HD23 ' B' ' 3' ' ' LEU . 3.2 tt -51.09 -59.04 4.6 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.561 -0.712 . . . . 0.0 110.077 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.2 p -61.44 -33.03 73.04 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.894 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.481 ' O ' HG23 ' B' ' 9' ' ' VAL . 24.7 t-20 -64.6 -45.38 87.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.248 -0.907 . . . . 0.0 109.645 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -72.25 -38.32 68.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.2 -0.938 . . . . 0.0 109.566 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 51' ' ' LEU . 57.9 tp -62.9 -43.62 98.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.385 -0.822 . . . . 0.0 109.496 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -64.92 -37.67 88.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.499 -0.75 . . . . 0.0 109.644 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 5' ' ' ASN . 47.1 t -61.4 -44.3 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.472 -0.767 . . . . 0.0 109.787 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -64.75 -34.99 79.64 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.996 -1.065 . . . . 0.0 109.647 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.555 HH22 ' CD ' ' B' ' 36' ' ' GLU . 48.8 ttp180 -61.83 -38.87 89.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.365 -0.834 . . . . 0.0 109.278 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.46 -42.9 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 CA-C-O 121.434 0.635 . . . . 0.0 109.5 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 33.2 mtp-105 -54.11 -43.06 70.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.383 -0.823 . . . . 0.0 109.289 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.412 HD13 ' CB ' ' A' ' 54' ' ' LYS . 84.4 mt -87.56 -4.81 58.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.857 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.0 m 47.56 77.89 0.08 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.624 -0.672 . . . . 0.0 110.551 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 mp -97.43 138.28 35.12 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 121.819 0.818 . . . . 0.0 109.778 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.8 p -92.05 138.49 31.49 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.536 0.684 . . . . 0.0 109.683 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.25 82.62 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.554 -0.717 . . . . 0.0 109.508 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.66 -48.62 74.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -62.08 -45.01 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.39 -0.819 . . . . 0.0 109.813 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -68.05 -43.48 85.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.561 -0.712 . . . . 0.0 109.942 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -51.1 71.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.427 -0.796 . . . . 0.0 110.841 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.79 -49.92 73.05 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.183 -0.948 . . . . 0.0 110.445 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.36 -39.69 92.63 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.027 -1.045 . . . . 0.0 109.889 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 77.7 mmm -65.05 -35.61 81.73 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.151 -0.968 . . . . 0.0 109.133 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.76 23.2 18.91 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 46.2 pt -128.72 165.21 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.551 -0.97 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.7 t -79.74 166.29 21.93 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.66 0.743 . . . . 0.0 110.524 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 31.0 mtm180 -64.97 -37.38 87.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.56 -0.713 . . . . 0.0 109.29 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.15 -38.93 92.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.511 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.402 ' HA ' HD22 ' B' ' 34' ' ' ASN . 68.1 tp60 -61.21 -45.61 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.248 -0.908 . . . . 0.0 108.725 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 47' ' ' TYR . 48.5 tp -64.96 -38.83 92.27 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -56.83 -40.46 76.06 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.555 -0.716 . . . . 0.0 109.677 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' B' ' 31' ' ' GLN . 73.0 m-20 -62.09 -43.56 98.56 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.382 -0.824 . . . . 0.0 109.364 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' B' ' 39' ' ' GLU . 66.6 mt -64.18 -45.14 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.368 -0.833 . . . . 0.0 109.226 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.555 ' CD ' HH22 ' B' ' 11' ' ' ARG . 78.9 tt0 -71.74 -17.16 62.22 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.442 -0.786 . . . . 0.0 110.012 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -96.32 -15.51 21.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.106 -0.996 . . . . 0.0 108.835 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.5 p -155.53 47.93 0.52 Allowed 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' B' ' 40' ' ' THR . 0.0 OUTLIER -52.22 -81.83 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.522 ' N ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m 53.47 158.7 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.724 0.773 . . . . 0.0 110.853 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.46 ' N ' HG22 ' B' ' 40' ' ' THR . . . -89.94 125.44 60.7 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 120.89 -1.131 . . . . 0.0 110.345 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.69 161.81 30.46 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.622 2.215 . . . . 0.0 112.504 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.97 -20.44 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.245 -0.909 . . . . 0.0 109.459 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.41 -43.77 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.408 -0.807 . . . . 0.0 109.434 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.89 -41.29 90.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.424 -0.797 . . . . 0.0 109.438 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.73 -41.28 86.07 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.272 -0.893 . . . . 0.0 109.562 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -61.95 -45.92 91.56 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 109.045 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.67 -43.18 94.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.154 -0.966 . . . . 0.0 109.465 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.25 90.42 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.146 -0.971 . . . . 0.0 109.871 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.46 -46.06 90.21 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.169 -0.957 . . . . 0.0 109.548 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.48 -38.38 90.93 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.48 -0.762 . . . . 0.0 109.277 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -44.82 96.22 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.421 -0.799 . . . . 0.0 109.815 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -64.65 -15.99 62.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.206 -0.934 . . . . 0.0 109.757 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.599 ' NZ ' HD13 ' A' ' 16' ' ' LEU . 98.5 mttt -88.89 7.96 31.75 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -0.878 . . . . 0.0 109.448 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.67 13.8 74.74 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.58 136.15 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.942 -1.328 . . . . 0.0 109.967 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.83 80.0 9.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.567 -0.708 . . . . 0.0 111.085 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 4.0 mm? -68.09 -40.96 82.5 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.258 -0.901 . . . . 0.0 109.148 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -49.37 -46.76 47.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.448 -0.782 . . . . 0.0 109.434 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.91 85.69 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.543 -0.723 . . . . 0.0 109.856 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.55 -43.51 97.13 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.416 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -67.6 -35.55 79.19 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.399 -0.813 . . . . 0.0 109.298 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.58 -31.52 68.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.207 -0.933 . . . . 0.0 109.525 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.495 HH11 ' HG2' ' B' ' 64' ' ' ARG . 28.9 mtp85 -59.71 -34.09 72.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.089 -1.007 . . . . 0.0 108.643 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.53 ' CD1' HD21 ' A' ' 3' ' ' LEU . 96.6 mt -94.93 -66.29 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.436 -0.79 . . . . 0.0 109.802 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 20.6 pt -82.76 137.22 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.923 . . . . 0.0 110.842 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.568 ' O ' HG13 ' B' ' 67' ' ' VAL . 6.0 p -104.55 88.21 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.548 -0.72 . . . . 0.0 109.467 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.568 ' N ' HD22 ' B' ' 68' ' ' ASN . 1.2 m120 -105.14 12.38 32.1 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 45.99 37.16 3.48 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 121.368 0.604 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 51.5 tp -64.05 -42.02 97.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.28 -0.887 . . . . 0.0 109.647 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.65 90.12 7.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.125 -0.985 . . . . 0.0 109.873 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' B' ' 72' ' ' HIS . 10.7 t60 -85.28 -51.74 6.38 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.418 -0.802 . . . . 0.0 109.08 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -85.24 -172.01 3.93 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.628 -0.67 . . . . 0.0 110.346 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.602 ' CE1' ' CD2' ' B' ' 76' ' ' HIS . 1.4 t-80 -151.35 139.05 19.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.42 -0.8 . . . . 0.0 109.393 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -110.05 110.97 22.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.579 -0.701 . . . . 0.0 110.024 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.602 ' CD2' ' CE1' ' B' ' 74' ' ' HIS . 9.1 m-70 -157.3 120.03 3.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.416 -0.802 . . . . 0.0 108.977 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.402 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 tpp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -79.53 157.09 27.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.488 -0.758 . . . . 0.0 109.855 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -62.94 -44.59 95.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.221 -0.925 . . . . 0.0 109.828 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.3 p -62.28 -35.69 79.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.0 109.63 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -64.83 -39.91 94.33 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.411 -0.806 . . . . 0.0 109.734 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 37.1 mm-40 -59.76 -52.28 66.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 110.08 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 7' ' ' LEU . 11.0 mp -61.84 -39.19 90.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 109.522 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -59.51 -40.36 86.82 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.211 -0.931 . . . . 0.0 109.328 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.19 -45.68 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 109.859 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 1.2 mp0 -61.06 -40.82 95.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.31 -0.868 . . . . 0.0 110.209 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 15' ' ' SER . 52.5 mtp180 -58.81 -42.98 90.42 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.92 -1.112 . . . . 0.0 108.452 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -65.94 -43.33 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -60.82 -44.95 96.22 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.334 -0.854 . . . . 0.0 109.468 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' SER . 91.4 mt -92.78 -2.01 56.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 108.658 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.1 t 36.78 64.26 0.59 Allowed 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.359 0.6 . . . . 0.0 110.331 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -107.28 134.95 49.62 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.469 0.652 . . . . 0.0 109.592 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 p -82.52 158.74 23.03 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.66 0.743 . . . . 0.0 110.412 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.36 -38.28 74.75 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.636 -0.665 . . . . 0.0 109.725 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.9 -46.98 82.42 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -61.09 -45.53 94.35 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.886 . . . . 0.0 109.374 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.0 t -66.92 -42.74 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.388 -0.82 . . . . 0.0 109.481 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.65 89.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.466 -0.771 . . . . 0.0 109.832 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -62.04 -49.99 73.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.121 -0.987 . . . . 0.0 109.755 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' OE1' ' CE1' ' B' ' 50' ' ' PHE . 4.7 tm-20 -70.4 -43.07 70.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.2 -0.938 . . . . 0.0 110.064 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.7 mmm -65.8 -39.17 90.67 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.268 -0.895 . . . . 0.0 109.599 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.16 31.09 18.08 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -124.99 166.15 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.466 -1.02 . . . . 0.0 110.028 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 p -73.43 161.55 30.29 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.672 0.749 . . . . 0.0 110.169 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -64.91 -38.86 92.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.518 -0.739 . . . . 0.0 109.243 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -65.26 -40.02 93.39 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.394 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.446 HE21 HG21 ' B' ' 43' ' ' VAL . 68.5 tp60 -61.15 -43.62 98.6 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.363 -0.836 . . . . 0.0 109.357 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 45.5 tp -64.37 -39.43 93.86 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.345 -0.847 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.9 m -60.64 -38.96 86.57 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.414 -0.804 . . . . 0.0 109.856 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 38' ' ' SER . 36.0 t30 -63.16 -37.38 87.01 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.497 -0.752 . . . . 0.0 109.919 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' B' ' 43' ' ' VAL . 94.0 mt -61.47 -42.7 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.368 -0.832 . . . . 0.0 109.257 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -65.17 -37.89 88.81 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.164 -0.96 . . . . 0.0 110.478 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -109.05 19.74 19.19 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.346 -0.846 . . . . 0.0 109.206 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 34' ' ' ASN . 7.7 t -61.33 -40.7 95.2 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 0.0 109.68 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 56.63 -88.07 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.573 0.701 . . . . 0.0 109.761 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' SER . 9.5 m -56.77 97.15 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.3 -0.875 . . . . 0.0 109.462 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.87 151.16 76.22 Favored Pre-proline 0 C--N 1.304 -1.405 0 O-C-N 121.48 -0.762 . . . . 0.0 109.61 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.01 152.22 80.66 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.514 2.143 . . . . 0.0 112.951 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 p -63.73 -26.64 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.87 -33.81 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.018 -1.052 . . . . 0.0 109.619 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.51 -43.97 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.22 -0.925 . . . . 0.0 108.867 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.39 -40.99 98.74 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.537 -0.727 . . . . 0.0 109.501 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -62.02 -41.46 98.12 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.342 -0.849 . . . . 0.0 109.082 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.85 -43.77 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.327 -0.858 . . . . 0.0 108.841 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.98 -28.82 70.36 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.36 -0.837 . . . . 0.0 108.987 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -62.9 -49.21 75.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.452 -0.78 . . . . 0.0 109.658 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.05 -21.89 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.453 -0.779 . . . . 0.0 109.222 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -61.91 -42.8 99.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -58.8 -33.49 70.41 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.603 -0.686 . . . . 0.0 109.223 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -75.52 1.6 13.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.228 -0.92 . . . . 0.0 108.643 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.94 32.54 84.36 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.91 -21.31 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.71 -1.465 . . . . 0.0 108.95 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.558 ' OD1' ' ND2' ' A' ' 59' ' ' ASN . 25.6 t0 66.84 82.78 0.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.549 0.69 . . . . 0.0 109.866 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.6 mt -92.06 -27.38 17.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.657 -0.652 . . . . 0.0 109.459 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.558 ' ND2' ' OD1' ' A' ' 57' ' ' ASP . 1.4 p-10 -43.14 -41.23 3.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -41.55 73.55 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.4 tt -63.06 -50.08 72.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.349 -0.844 . . . . 0.0 109.389 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -63.11 -43.92 97.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.44 -0.788 . . . . 0.0 109.832 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.75 -37.53 51.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.396 -0.815 . . . . 0.0 109.912 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -71.19 -9.57 58.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.131 -0.98 . . . . 0.0 109.68 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.6 mt -99.17 -36.98 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.302 -0.874 . . . . 0.0 109.299 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 66' ' ' ILE . 2.0 mp -64.87 -44.58 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.847 . . . . 0.0 108.928 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 19.1 m -47.92 149.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 121.707 0.765 . . . . 0.0 110.82 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -74.01 117.19 15.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.563 -0.711 . . . . 0.0 109.819 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -137.28 -19.2 1.26 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.2 mt 56.09 95.48 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.513 -0.742 . . . . 0.0 109.526 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -109.38 -32.63 7.09 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.447 ' CG ' ' N ' ' A' ' 73' ' ' HIS . 12.8 p-80 -171.11 -157.44 0.13 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.323 -0.861 . . . . 0.0 108.972 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.476 ' N ' ' CD2' ' A' ' 73' ' ' HIS . 4.9 m-70 -137.47 151.0 48.01 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.35 -0.843 . . . . 0.0 109.713 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -101.69 119.71 39.2 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.323 -0.861 . . . . 0.0 109.905 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' HIS . 86.3 t60 -107.14 -10.69 15.8 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.406 -0.809 . . . . 0.0 108.853 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' HIS . 68.8 t60 38.01 91.49 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.76 -0.587 . . . . 0.0 110.608 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.433 ' C ' ' ND1' ' A' ' 77' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.439 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mmm . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.379 0.609 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.15 151.03 40.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.429 -0.794 . . . . 0.0 110.733 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.5 -43.52 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.522 -0.736 . . . . 0.0 109.791 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.2 p -66.06 -40.28 90.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.223 -0.923 . . . . 0.0 110.188 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -64.77 -45.99 84.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 110.059 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.78 -36.54 78.42 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.253 -0.905 . . . . 0.0 109.232 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.9 tp -62.92 -41.75 99.57 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.393 -0.817 . . . . 0.0 109.246 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.44 ' NZ ' ' NH1' ' B' ' 11' ' ' ARG . 11.5 mmtt -64.99 -37.79 88.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.458 -0.776 . . . . 0.0 110.028 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.47 -44.18 92.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.344 -0.848 . . . . 0.0 109.223 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -64.39 -43.0 95.81 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.16 -0.963 . . . . 0.0 110.067 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 15' ' ' SER . 43.0 ttt180 -60.91 -44.89 96.54 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.904 -1.122 . . . . 0.0 109.109 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.12 -42.3 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -45.32 78.67 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' B' ' 15' ' ' SER . 91.3 mt -92.24 -2.14 56.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.514 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.5 m 36.41 73.22 0.09 Allowed 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.271 0.558 . . . . 0.0 110.236 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -101.43 138.17 38.8 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.684 0.754 . . . . 0.0 109.995 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p -82.04 136.71 35.19 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.557 0.694 . . . . 0.0 110.131 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.75 85.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.463 -0.773 . . . . 0.0 109.666 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.87 -47.64 82.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.828 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.9 -46.28 88.56 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 110.075 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.68 -43.51 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.28 -0.887 . . . . 0.0 109.839 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.21 86.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.438 -0.789 . . . . 0.0 109.995 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.53 -45.33 79.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.959 . . . . 0.0 109.61 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -74.44 -36.49 63.39 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.34 -0.85 . . . . 0.0 109.974 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mmm -64.65 -36.37 84.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.368 -0.832 . . . . 0.0 109.259 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.38 24.16 27.15 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 33.0 pt -124.62 165.38 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.152 0 O-C-N 121.494 -1.003 . . . . 0.0 109.934 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 17.4 p -72.69 160.43 32.23 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.454 -0.778 . . . . 0.0 110.267 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -63.7 -40.71 97.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.57 -0.706 . . . . 0.0 109.28 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.37 -40.96 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.422 -0.799 . . . . 0.0 109.635 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.45 -39.83 94.63 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -0.938 . . . . 0.0 109.226 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -63.99 -40.98 97.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.278 -0.889 . . . . 0.0 109.328 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.12 -35.52 78.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.468 -0.77 . . . . 0.0 109.35 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.27 -39.67 93.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.335 -0.853 . . . . 0.0 109.055 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.53 -43.94 98.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 O-C-N 121.435 -0.79 . . . . 0.0 109.125 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -68.94 -34.35 75.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 109.3 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -92.72 14.94 15.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.51 -0.743 . . . . 0.0 109.09 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 35.7 t -58.03 136.28 57.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.371 -0.83 . . . . 0.0 110.125 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -105.49 -69.48 0.82 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.625 -0.672 . . . . 0.0 109.239 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -95.63 116.19 28.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.102 -0.999 . . . . 0.0 109.376 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.28 150.88 87.66 Favored Pre-proline 0 N--CA 1.487 1.396 0 O-C-N 121.34 -0.85 . . . . 0.0 109.85 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -66.11 151.26 84.17 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.54 2.16 . . . . 0.0 112.821 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.459 ' CG2' HD11 ' A' ' 35' ' ' ILE . 18.9 m -67.32 -19.17 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.497 -0.752 . . . . 0.0 109.969 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' ' 45' ' ' VAL . 9.3 p -56.03 -40.25 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.0 109.438 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.47 ' N ' HG13 ' B' ' 44' ' ' VAL . 89.8 t -63.89 -44.01 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 109.183 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.1 -41.71 99.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.361 -0.837 . . . . 0.0 109.208 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.36 -43.85 97.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.414 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.565 HG23 HD22 ' B' ' 58' ' ' LEU . 95.1 mt -63.06 -43.22 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.366 -0.834 . . . . 0.0 109.337 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.487 ' HA ' ' HE ' ' B' ' 52' ' ' ARG . . . -55.8 -38.54 70.08 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.272 -0.892 . . . . 0.0 109.522 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.5 ' CE1' ' OE1' ' A' ' 24' ' ' GLU . 10.8 t80 -62.64 -46.9 86.11 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.286 -0.884 . . . . 0.0 109.408 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.56 -40.62 93.01 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.3 -0.875 . . . . 0.0 109.948 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' B' ' 49' ' ' ALA . 73.1 mtm180 -64.15 -37.98 89.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.273 -0.892 . . . . 0.0 109.276 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 94.6 p -61.27 -19.05 61.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.293 -0.879 . . . . 0.0 109.33 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -94.93 2.07 55.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.264 -0.897 . . . . 0.0 108.932 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' B' ' 57' ' ' ASP . . . 73.89 25.04 72.68 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 120.3 -0.952 . . . . 0.0 110.772 178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.562 ' O ' HG12 ' B' ' 56' ' ' VAL . 54.9 t -60.77 -2.94 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 120.643 -1.504 . . . . 0.0 109.617 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' B' ' 55' ' ' GLY . 17.4 m-20 57.62 69.94 0.7 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.642 -0.661 . . . . 0.0 109.898 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.565 HD22 HG23 ' B' ' 48' ' ' ILE . 4.4 tp -77.57 -1.26 29.81 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.374 -0.829 . . . . 0.0 108.893 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -63.0 -41.91 99.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.604 -0.685 . . . . 0.0 109.623 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.12 75.56 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 110.319 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.5 tt -60.64 -51.26 70.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.159 -0.963 . . . . 0.0 109.899 -178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -62.88 -38.41 90.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 0.0 109.373 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.53 -22.84 56.67 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.2 -0.937 . . . . 0.0 108.558 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -86.87 -30.13 21.65 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.979 -1.075 . . . . 0.0 109.601 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.505 ' C ' ' H ' ' B' ' 67' ' ' VAL . 29.6 mm -72.55 -43.11 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 120.976 -1.077 . . . . 0.0 110.169 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' B' ' 67' ' ' VAL . 35.5 pt -55.85 -3.66 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.365 -0.834 . . . . 0.0 109.783 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.564 HG22 ' H ' ' B' ' 69' ' ' LYS . 6.9 p -42.32 126.42 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.463 -0.773 . . . . 0.0 110.53 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -91.33 14.06 15.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.49 -0.756 . . . . 0.0 109.004 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.564 ' H ' HG22 ' B' ' 67' ' ' VAL . 98.4 mttt -81.87 99.94 9.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -0.895 . . . . 0.0 109.54 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' B' ' 69' ' ' LYS . 84.3 mt 39.43 85.86 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 121.55 0.69 . . . . 0.0 110.175 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.536 ' C ' ' H ' ' B' ' 73' ' ' HIS . 81.1 mt-10 -90.63 1.53 56.7 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.585 -0.697 . . . . 0.0 109.678 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -68.17 12.4 0.12 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.118 -0.989 . . . . 0.0 109.407 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.536 ' H ' ' C ' ' B' ' 71' ' ' GLU . 38.1 m170 -80.47 -9.68 59.76 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.271 -0.893 . . . . 0.0 108.821 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -96.55 101.11 12.67 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.461 -0.774 . . . . 0.0 110.135 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.436 ' CD2' ' C ' ' B' ' 75' ' ' HIS . 3.0 t60 -92.21 122.08 34.35 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' B' ' 77' ' ' HIS . 0.0 OUTLIER -167.23 143.72 4.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.022 -1.049 . . . . 0.0 109.046 179.526 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.473 ' O ' ' CE1' ' B' ' 76' ' ' HIS . 65.9 t-80 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.532 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.565 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.0 mpp? . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.483 0.658 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 61.4 144.57 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.706 0.765 . . . . 0.0 110.503 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.97 -39.38 94.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.757 -0.59 . . . . 0.0 110.423 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.0 p -55.48 -38.2 68.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.187 -0.946 . . . . 0.0 110.29 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -63.9 -46.4 85.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.886 -1.134 . . . . 0.0 109.52 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -70.89 -42.24 70.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.144 -0.972 . . . . 0.0 109.222 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -63.34 -41.33 98.87 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.433 -0.792 . . . . 0.0 109.144 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -60.17 -39.08 85.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.36 -0.838 . . . . 0.0 109.262 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.5 -44.53 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.913 . . . . 0.0 109.096 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -56.52 -41.8 77.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.216 -0.927 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -59.18 -44.53 92.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.046 -1.033 . . . . 0.0 108.497 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -72.39 -25.44 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.618 -0.676 . . . . 0.0 109.585 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -59.11 -44.58 92.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.146 -0.971 . . . . 0.0 108.749 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 15' ' ' SER . 96.5 mt -101.44 2.35 39.26 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 p 47.62 77.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.378 -0.826 . . . . 0.0 110.629 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.71 157.77 15.75 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.17 -0.956 . . . . 0.0 109.468 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.5 p -102.68 133.86 47.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.625 -0.672 . . . . 0.0 109.284 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.4 -38.24 90.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.297 -0.877 . . . . 0.0 109.807 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.19 -47.04 84.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.208 -0.933 . . . . 0.0 110.204 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -61.18 -44.3 97.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.11 -0.994 . . . . 0.0 110.167 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -62.92 -46.51 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.041 -1.037 . . . . 0.0 109.936 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.45 91.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.19 -0.943 . . . . 0.0 109.933 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -68.88 -43.39 75.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.099 -1.0 . . . . 0.0 109.94 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -67.45 -45.41 76.09 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.154 -0.966 . . . . 0.0 110.147 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.0 mtp -65.51 -39.0 91.33 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.28 -0.888 . . . . 0.0 109.755 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.68 27.48 6.71 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.4 pt -125.23 162.87 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.543 -0.975 . . . . 0.0 109.434 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 p -75.7 157.73 33.23 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.428 -0.795 . . . . 0.0 110.049 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 54.7 mtm180 -65.07 -26.71 68.36 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.492 -0.755 . . . . 0.0 109.231 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.41 -44.82 96.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 109.065 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.97 -43.6 87.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -64.1 -41.38 97.29 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.356 -0.84 . . . . 0.0 109.12 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 97.1 m -62.22 -34.16 75.95 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.907 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -61.52 -41.84 97.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.007 -1.058 . . . . 0.0 109.745 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.47 -44.7 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.16 -0.962 . . . . 0.0 109.474 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -70.39 -35.69 73.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.299 -0.875 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -96.76 38.54 1.21 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.331 -0.856 . . . . 0.0 110.27 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -159.15 124.75 4.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 0.0 109.332 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -90.0 -69.26 0.73 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.248 -0.907 . . . . 0.0 110.079 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' GLU . 28.5 p -37.39 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.453 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.64 153.91 41.14 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.578 -0.701 . . . . 0.0 109.139 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.06 151.66 84.36 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.765 2.31 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.39 -18.67 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.498 -0.751 . . . . 0.0 110.26 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 45' ' ' VAL . 9.9 p -55.77 -40.38 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.959 . . . . 0.0 109.281 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.464 ' N ' HG13 ' A' ' 44' ' ' VAL . 90.5 t -62.65 -46.03 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.209 -0.932 . . . . 0.0 109.084 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -63.28 -38.46 91.24 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.334 -0.854 . . . . 0.0 109.051 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.94 -41.65 87.92 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 109.124 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.31 -43.77 98.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.174 -0.954 . . . . 0.0 109.113 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.15 -36.69 80.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.291 -0.881 . . . . 0.0 109.283 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CE2' HG22 ' B' ' 21' ' ' VAL . 46.7 t80 -60.61 -46.39 90.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.178 -0.951 . . . . 0.0 109.367 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.5 mt -62.62 -42.1 99.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 0.0 109.15 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 HH12 HD22 ' B' ' 59' ' ' ASN . 29.6 ttm180 -60.94 -41.98 97.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 109.386 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.9 t -59.0 -18.55 35.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.893 . . . . 0.0 109.325 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -93.23 2.64 56.55 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.309 -0.87 . . . . 0.0 108.956 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.98 9.93 61.8 Favored Glycine 0 N--CA 1.495 2.631 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.88 133.59 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.941 -1.329 . . . . 0.0 109.149 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.84 111.21 20.55 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.358 -0.839 . . . . 0.0 110.409 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 58' ' ' LEU . 3.3 mm? -90.63 -10.91 41.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.413 -0.804 . . . . 0.0 109.191 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 7.1 p30 -63.51 -39.54 94.71 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.801 . . . . 0.0 109.257 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.476 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -62.24 -48.11 81.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.136 -0.977 . . . . 0.0 109.576 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.551 HD11 ' HG2' ' B' ' 6' ' ' GLU . 4.0 mm? -62.72 -44.91 94.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.363 -0.836 . . . . 0.0 109.933 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.45 -43.14 73.91 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.4 -0.812 . . . . 0.0 109.688 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -63.88 -36.68 84.72 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.109 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -44.54 96.31 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.557 -0.714 . . . . 0.0 109.2 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.6 mt -71.91 -70.99 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.0 110.081 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.8 pt -81.07 132.55 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.288 -0.883 . . . . 0.0 109.785 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.05 131.97 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.511 -0.743 . . . . 0.0 109.556 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -68.84 -176.15 0.8 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.492 -0.755 . . . . 0.0 110.515 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.5 tttp 58.96 77.91 0.28 Allowed 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.341 0.591 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.8 tp -89.4 -72.59 0.55 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.29 -0.882 . . . . 0.0 109.54 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 56.43 167.05 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.26 0.552 . . . . 0.0 109.927 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -118.67 123.42 44.88 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.697 -0.627 . . . . 0.0 110.012 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -153.27 -91.52 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -91.53 131.48 36.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.358 -0.839 . . . . 0.0 108.891 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.47 124.9 35.17 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.367 -0.833 . . . . 0.0 109.412 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -67.67 -39.83 84.49 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.415 ' OXT' ' CG ' ' A' ' 77' ' ' HIS . 85.8 t60 . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.555 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ptp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.7 140.14 51.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.418 -0.801 . . . . 0.0 110.631 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.56 -41.82 98.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.693 . . . . 0.0 109.718 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -58.26 -43.05 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.184 -0.948 . . . . 0.0 109.501 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.402 ' O ' HG23 ' B' ' 9' ' ' VAL . 33.9 t30 -62.92 -44.0 97.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.133 -0.979 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.551 ' HG2' HD11 ' A' ' 61' ' ' LEU . 48.1 tp10 -70.4 -32.52 70.19 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.051 -1.031 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 51' ' ' LEU . 51.9 tp -61.22 -45.64 93.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 109.218 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.62 -37.71 88.5 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.534 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 5' ' ' ASN . 71.6 t -60.39 -44.75 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.02 -1.05 . . . . 0.0 109.846 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -61.6 -35.56 78.2 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.893 -1.13 . . . . 0.0 109.115 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -59.69 -44.59 93.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.1 -1.0 . . . . 0.0 109.323 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.56 -44.55 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -63.3 -36.2 82.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.336 -0.852 . . . . 0.0 109.167 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' B' ' 15' ' ' SER . 63.4 mt -79.28 -4.93 53.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.404 ' C ' ' O ' ' B' ' 14' ' ' LEU . 3.1 t 38.63 57.0 1.84 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 122.004 -0.435 . . . . 0.0 110.134 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.692 HD12 ' C ' ' B' ' 16' ' ' LEU . 3.5 pp -106.34 150.81 25.61 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.574 -0.704 . . . . 0.0 109.992 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.3 p -94.03 137.85 32.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.24 -0.913 . . . . 0.0 110.42 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.21 83.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.612 -0.68 . . . . 0.0 109.864 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.06 -44.33 97.55 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.126 -0.984 . . . . 0.0 109.83 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 39.1 t -62.14 -44.37 96.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.462 HG22 ' CE2' ' A' ' 50' ' ' PHE . 77.4 t -64.32 -44.41 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.779 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.78 82.68 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -67.42 -45.86 74.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.006 -1.059 . . . . 0.0 110.598 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.85 -46.64 77.73 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.142 -0.974 . . . . 0.0 110.341 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.461 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 93.8 mtp -66.06 -38.88 89.43 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.354 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.44 32.37 6.37 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 pt -126.35 163.27 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.517 -0.99 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m -79.81 158.6 26.77 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-O 121.793 0.806 . . . . 0.0 110.245 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.8 mtm-85 -62.0 -35.83 79.71 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.516 -0.74 . . . . 0.0 109.267 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.87 -40.72 94.01 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.679 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.89 -45.88 90.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.081 -1.012 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -64.06 -40.45 96.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.483 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.94 -36.06 76.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.299 -0.876 . . . . 0.0 109.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -62.31 -40.39 96.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 108.827 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -63.13 -43.55 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.507 -0.746 . . . . 0.0 109.757 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.38 -36.4 80.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.106 -0.996 . . . . 0.0 109.5 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.61 0.28 34.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.136 -0.977 . . . . 0.0 109.392 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -71.63 139.47 49.31 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.351 -0.843 . . . . 0.0 109.576 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -104.37 -48.27 3.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.347 -0.845 . . . . 0.0 108.798 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -105.89 162.53 13.49 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.98 142.71 25.17 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 121.332 -0.855 . . . . 0.0 109.128 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -66.16 160.35 45.28 Favored 'Trans proline' 0 N--CA 1.499 1.828 0 C-N-CA 122.116 1.877 . . . . 0.0 112.395 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.419 ' H ' HG22 ' B' ' 43' ' ' VAL . 12.8 m -63.16 -31.23 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.403 -0.811 . . . . 0.0 110.814 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.504 HG13 ' N ' ' B' ' 45' ' ' VAL . 14.6 p -46.47 -37.77 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.504 ' N ' HG13 ' B' ' 44' ' ' VAL . 79.7 t -65.07 -44.02 95.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.62 -33.0 74.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -57.8 -46.14 85.08 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.58 -43.9 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.174 -0.954 . . . . 0.0 109.628 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.01 91.0 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.254 -0.904 . . . . 0.0 110.312 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.0 -48.01 82.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.053 -1.029 . . . . 0.0 109.64 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.9 -41.33 99.4 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.097 -1.002 . . . . 0.0 109.126 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' B' ' 52' ' ' ARG . 26.8 mtp85 -62.69 -36.1 81.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.667 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 55.8 p -58.92 -19.2 40.45 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.246 -0.909 . . . . 0.0 108.712 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -97.09 -1.15 45.86 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.351 -0.843 . . . . 0.0 109.119 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . 0.475 ' O ' ' OD2' ' B' ' 57' ' ' ASP . . . 84.08 23.95 50.16 Favored Glycine 0 N--CA 1.494 2.507 0 C-N-CA 120.296 -0.954 . . . . 0.0 110.9 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.4 t -69.38 -45.57 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 120.903 -1.351 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 55' ' ' GLY . 1.1 m-20 65.38 61.74 0.7 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.339 -0.851 . . . . 0.0 109.684 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.588 ' H ' HD23 ' B' ' 58' ' ' LEU . 0.3 OUTLIER -88.52 -2.43 58.59 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.073 -1.017 . . . . 0.0 108.906 179.543 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 0.9 OUTLIER -56.23 -50.75 70.4 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.357 -0.84 . . . . 0.0 108.923 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.89 -21.97 50.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.171 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 51.2 tp -55.99 -53.58 55.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.029 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -85.26 -23.63 28.11 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.813 -1.179 . . . . 0.0 110.318 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -53.1 -34.7 57.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.762 -1.211 . . . . 0.0 109.032 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 22.0 mtm-85 -59.15 -33.4 70.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.961 -1.087 . . . . 0.0 109.023 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.8 -44.47 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.266 -0.896 . . . . 0.0 109.952 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.79 127.4 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.953 . . . . 0.0 109.691 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -84.43 130.12 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.463 -0.773 . . . . 0.0 110.074 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.604 HD22 ' N ' ' B' ' 69' ' ' LYS . 0.4 OUTLIER -83.35 137.08 34.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.504 -0.748 . . . . 0.0 110.76 -179.491 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.604 ' N ' HD22 ' B' ' 68' ' ' ASN . 58.7 tttp 56.84 110.56 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.333 -0.855 . . . . 0.0 109.971 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.514 HD22 ' N ' ' B' ' 70' ' ' LEU . 3.7 mm? -89.01 137.67 32.1 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.363 -0.836 . . . . 0.0 109.833 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' B' ' 72' ' ' HIS . 98.5 mt-10 -143.46 -114.9 0.1 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.366 -0.834 . . . . 0.0 109.119 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' B' ' 71' ' ' GLU . 8.2 m80 59.75 136.41 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.315 -0.866 . . . . 0.0 110.455 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' B' ' 74' ' ' HIS . 3.1 m80 -56.19 -78.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.44 -0.788 . . . . 0.0 110.585 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' B' ' 73' ' ' HIS . 19.0 m80 -45.1 -94.44 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.0 110.151 -178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.435 ' H ' ' H ' ' B' ' 76' ' ' HIS . 0.1 OUTLIER 171.94 -5.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 -179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.435 ' H ' ' H ' ' B' ' 75' ' ' HIS . 0.3 OUTLIER 49.35 14.69 0.1 Allowed 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.424 ' N ' ' C ' ' B' ' 75' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.185 -0.947 . . . . 0.0 109.332 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.586 ' CE ' HD22 ' A' ' 5' ' ' ASN . 97.5 mmm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 53.07 -105.56 0.25 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.153 -0.967 . . . . 0.0 110.822 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -60.72 -46.32 90.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.258 -0.901 . . . . 0.0 109.196 -178.455 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.7 t -63.5 -42.0 98.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.131 -0.981 . . . . 0.0 109.313 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.586 HD22 ' CE ' ' A' ' 1' ' ' MET . 17.9 t-20 -62.26 -40.62 96.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 0.0 110.065 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -60.28 -50.88 71.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.046 . . . . 0.0 110.361 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.7 mp -63.14 -41.54 99.32 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.969 -1.082 . . . . 0.0 109.245 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.29 -42.15 99.1 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.348 -0.845 . . . . 0.0 109.64 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 5' ' ' ASN . 50.9 t -63.08 -44.55 99.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.211 -0.93 . . . . 0.0 110.201 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.14 -38.64 91.97 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.871 -1.143 . . . . 0.0 109.355 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.514 ' NH1' ' CD ' ' A' ' 36' ' ' GLU . 49.8 ttt180 -59.17 -42.45 90.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.01 -1.056 . . . . 0.0 108.576 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.79 -42.51 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.712 -0.618 . . . . 0.0 109.81 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -54.66 -44.3 73.15 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.015 -1.053 . . . . 0.0 110.017 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.34 -4.23 58.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.006 -1.059 . . . . 0.0 108.575 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t 50.54 75.94 0.16 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.453 -0.779 . . . . 0.0 110.717 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.92 137.01 49.08 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.379 -0.826 . . . . 0.0 109.876 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.0 p -86.58 158.75 19.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.756 . . . . 0.0 109.471 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.64 81.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.0 109.277 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -63.02 -45.94 89.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.452 -0.78 . . . . 0.0 110.128 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.4 m -60.45 -45.97 91.77 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.953 -1.092 . . . . 0.0 109.658 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.05 -44.82 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.597 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.84 92.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -66.4 -41.28 89.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.315 -0.865 . . . . 0.0 108.967 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.96 -52.83 17.52 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.224 -0.923 . . . . 0.0 109.297 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.3 mtp -65.84 -39.4 90.76 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.404 -0.81 . . . . 0.0 109.572 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.26 40.36 6.98 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 pt -127.04 164.79 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.439 -1.036 . . . . 0.0 109.979 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 154.69 40.95 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.346 -0.846 . . . . 0.0 110.222 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -64.56 -37.31 87.12 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.455 -0.778 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.46 -41.88 95.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.318 -0.864 . . . . 0.0 109.549 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -62.44 -40.96 98.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.072 -1.017 . . . . 0.0 109.081 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.31 -39.91 95.88 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.281 -0.887 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.0 m -57.0 -42.51 80.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.104 -0.998 . . . . 0.0 109.202 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -64.61 -41.69 96.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.268 -0.895 . . . . 0.0 109.408 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.21 -43.39 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.263 -0.898 . . . . 0.0 109.701 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' CD ' ' NH1' ' A' ' 11' ' ' ARG . 27.0 mt-10 -54.85 -46.03 74.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.195 -0.94 . . . . 0.0 109.592 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' SER . 15.8 pt20 -93.7 21.31 6.55 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.282 -0.886 . . . . 0.0 108.969 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' GLN . 12.9 p -41.93 103.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.561 -0.712 . . . . 0.0 109.782 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.18 -81.45 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.504 -0.747 . . . . 0.0 109.716 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.2 t -103.04 161.08 14.06 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.356 -0.84 . . . . 0.0 109.789 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . . . -87.27 149.33 46.86 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.121 -0.987 . . . . 0.0 109.4 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.87 165.22 31.84 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.556 2.171 . . . . 0.0 112.17 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 m -59.49 -28.51 40.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.413 -0.804 . . . . 0.0 109.809 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.34 -46.19 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.053 -1.03 . . . . 0.0 109.952 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.9 t -64.2 -43.68 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.08 -1.013 . . . . 0.0 109.631 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' NZ ' ' O ' ' A' ' 41' ' ' ALA . 63.3 mttp -60.7 -42.41 97.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.111 -0.993 . . . . 0.0 109.217 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -61.9 -42.78 99.48 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.195 -0.941 . . . . 0.0 109.315 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.432 ' CG2' HD22 ' A' ' 58' ' ' LEU . 93.3 mt -62.37 -43.84 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.09 -1.006 . . . . 0.0 109.2 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -35.19 76.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.203 -0.936 . . . . 0.0 108.911 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -60.38 -46.39 90.12 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.0 -40.98 99.39 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -62.34 -37.06 84.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.0 109.504 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -61.73 -19.13 62.09 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.186 -0.946 . . . . 0.0 109.159 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -95.27 0.38 53.76 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.191 -0.943 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.29 27.73 47.42 Favored Glycine 0 N--CA 1.494 2.521 0 C-N-CA 120.026 -1.083 . . . . 0.0 110.835 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.01 -22.04 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.805 -1.409 . . . . 0.0 109.161 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 63.7 68.91 0.57 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.523 0.677 . . . . 0.0 109.889 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.507 HD21 ' CE1' ' A' ' 62' ' ' PHE . 5.4 tp -62.92 -38.34 90.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.613 -0.679 . . . . 0.0 109.782 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 58' ' ' LEU . 46.0 m-80 -34.35 -54.13 0.51 Allowed 'General case' 0 N--CA 1.502 2.142 0 CA-C-O 121.254 0.549 . . . . 0.0 110.834 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.96 80.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.401 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' LEU . 5.6 tt -60.65 -48.51 81.45 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.019 -1.051 . . . . 0.0 110.315 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.507 ' CE1' HD21 ' A' ' 58' ' ' LEU . 3.4 m-30 -73.84 -39.99 63.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.943 -1.098 . . . . 0.0 109.635 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.1 -18.01 59.45 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -18.56 61.99 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -95.19 -60.28 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.472 ' O ' ' O ' ' A' ' 67' ' ' VAL . 32.3 pt -69.95 -22.29 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 109.666 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.499 HG12 HD22 ' A' ' 68' ' ' ASN . 46.2 t 56.53 122.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 CA-C-O 121.614 0.721 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.824 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -34.49 132.24 0.3 Allowed 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.494 0.664 . . . . 0.0 110.987 179.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -93.18 111.88 23.66 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.227 -0.921 . . . . 0.0 109.454 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.516 ' CG ' ' H ' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -151.35 -110.61 0.05 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.525 -0.734 . . . . 0.0 109.439 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' H ' ' CG ' ' A' ' 70' ' ' LEU . 3.5 tt0 80.4 86.94 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.463 0.649 . . . . 0.0 110.586 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.642 ' CD2' ' N ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -108.99 105.03 14.38 Favored 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 178.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -83.23 54.06 2.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.089 -1.007 . . . . 0.0 110.528 -178.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.632 ' ND1' ' N ' ' A' ' 75' ' ' HIS . 13.4 t-80 -27.61 -97.21 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.615 0 CA-C-O 121.004 0.431 . . . . 0.0 111.359 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.632 ' N ' ' ND1' ' A' ' 74' ' ' HIS . 42.0 m80 -157.32 -49.69 0.07 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.843 -1.161 . . . . 0.0 108.813 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -100.55 -8.71 22.77 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.463 -0.773 . . . . 0.0 109.425 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.62 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 58.26 110.44 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.45 -0.781 . . . . 0.0 109.84 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.428 HD23 ' OE1' ' B' ' 6' ' ' GLU . 12.3 mt -63.77 -37.89 89.05 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.369 -0.832 . . . . 0.0 109.825 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.4 t -56.97 -45.27 83.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.025 -1.047 . . . . 0.0 110.038 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -65.66 -39.36 91.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.101 -0.999 . . . . 0.0 109.92 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.428 ' OE1' HD23 ' B' ' 3' ' ' LEU . 74.0 mt-10 -57.44 -51.88 67.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.083 -1.011 . . . . 0.0 110.68 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.432 ' N ' HD12 ' B' ' 7' ' ' LEU . 9.5 mp -63.03 -40.25 97.17 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.027 -1.046 . . . . 0.0 109.208 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -59.21 -43.8 92.29 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.334 -0.854 . . . . 0.0 109.71 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.09 -44.55 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.224 -0.923 . . . . 0.0 109.618 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -65.14 -42.59 93.68 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.044 -1.035 . . . . 0.0 110.308 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' B' ' 15' ' ' SER . 54.8 ttp180 -60.5 -46.55 89.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.96 -43.15 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.703 -0.623 . . . . 0.0 109.895 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -57.76 -45.02 86.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.207 -0.933 . . . . 0.0 109.244 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 83.3 mt -92.84 -0.95 57.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.191 -0.943 . . . . 0.0 108.506 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.426 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 40.8 81.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.844 -0.535 . . . . 0.0 110.992 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.74 140.42 35.04 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.286 -0.884 . . . . 0.0 109.029 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -87.76 134.26 33.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.399 -0.813 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.39 83.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.152 -0.968 . . . . 0.0 109.472 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.56 ' NZ ' ' NH1' ' B' ' 29' ' ' ARG . 68.1 mttm -62.92 -46.82 86.0 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.97 -1.081 . . . . 0.0 109.971 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.5 t -65.09 -46.31 81.63 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.114 -0.991 . . . . 0.0 109.832 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.8 t -66.32 -46.06 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.831 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.73 93.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.156 -0.965 . . . . 0.0 110.283 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -65.42 -45.52 83.56 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -69.8 -42.61 73.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.315 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 73.3 mmm -65.8 -39.68 91.18 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.506 -0.746 . . . . 0.0 109.459 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.65 9.07 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.12 168.06 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.257 0 O-C-N 121.344 -1.092 . . . . 0.0 110.238 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 30.1 t -70.93 154.01 42.19 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.56 ' NH1' ' NZ ' ' B' ' 19' ' ' LYS . 76.8 mtm180 -65.02 -37.02 86.27 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 108.912 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.31 -42.15 98.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.959 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.18 -43.03 96.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.074 -1.016 . . . . 0.0 109.41 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.03 -43.21 99.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.15 -0.969 . . . . 0.0 109.126 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -31.24 72.16 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.187 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -62.36 -42.37 99.35 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.073 -1.017 . . . . 0.0 110.379 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' B' ' 40' ' ' THR . 95.4 mt -61.29 -70.01 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.467 -0.771 . . . . 0.0 111.968 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' B' ' 36' ' ' GLU . 0.0 OUTLIER -52.77 -28.7 23.57 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.398 -0.813 . . . . 0.0 110.983 -177.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.77 -1.88 45.43 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.714 -1.241 . . . . 0.0 110.821 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 177.88 155.06 0.34 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.873 -1.142 . . . . 0.0 109.539 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 49.08 94.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 109.828 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' B' ' 35' ' ' ILE . 53.0 p -132.6 -12.4 3.03 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.374 -0.828 . . . . 0.0 109.445 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.59 81.2 64.84 Favored Pre-proline 0 N--CA 1.499 1.985 0 O-C-N 121.459 -0.775 . . . . 0.0 109.781 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.24 -179.63 5.62 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.328 2.019 . . . . 0.0 112.289 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.33 -33.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.336 -0.853 . . . . 0.0 109.946 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.84 -46.54 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.027 -1.045 . . . . 0.0 109.846 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -64.99 -42.03 93.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.0 109.539 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.23 -40.13 80.9 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.077 -1.014 . . . . 0.0 109.164 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -61.12 -48.55 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.181 -0.95 . . . . 0.0 109.613 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.618 HG22 HD22 ' B' ' 58' ' ' LEU . 50.2 mt -63.9 -45.87 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.95 -1.094 . . . . 0.0 108.937 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.2 75.02 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.222 -0.924 . . . . 0.0 109.321 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -57.34 -44.56 84.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.63 -39.43 93.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.467 ' HA ' ' H ' ' B' ' 57' ' ' ASP . 48.7 ttp180 -60.09 -40.2 88.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.281 -0.887 . . . . 0.0 110.173 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -61.36 -16.35 45.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.142 -0.974 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -93.26 1.25 57.11 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.233 -0.917 . . . . 0.0 110.094 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.52 1.53 57.75 Favored Glycine 0 N--CA 1.5 2.965 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.67 -41.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.999 -1.295 . . . . 0.0 109.406 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.467 ' H ' ' HA ' ' B' ' 52' ' ' ARG . 83.8 m-20 60.68 87.2 0.09 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.657 0.742 . . . . 0.0 110.328 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.618 HD22 HG22 ' B' ' 48' ' ' ILE . 2.9 pp -69.38 -37.26 77.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.63 -0.669 . . . . 0.0 110.37 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' B' ' 58' ' ' LEU . 12.8 p-10 -41.57 -53.48 3.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.202 -0.936 . . . . 0.0 110.749 -178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.81 85.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.132 -0.98 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.581 ' O ' HD23 ' B' ' 61' ' ' LEU . 3.0 tt -60.0 -47.07 87.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.218 -0.926 . . . . 0.0 108.644 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' B' ' 65' ' ' ILE . 2.3 m-85 -70.07 -32.54 70.68 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.132 -0.98 . . . . 0.0 109.144 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -49.11 -34.57 14.27 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -58.34 -41.16 84.04 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' B' ' 62' ' ' PHE . 60.8 mt -63.45 -44.24 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.451 -0.781 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.509 HG22 ' N ' ' B' ' 67' ' ' VAL . 96.6 mt -74.51 162.08 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.174 -0.954 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.734 HG22 HD22 ' B' ' 68' ' ' ASN . 7.1 p -174.33 150.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.306 -0.871 . . . . 0.0 110.107 -178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.734 HD22 HG22 ' B' ' 67' ' ' VAL . 0.0 OUTLIER -60.56 164.54 4.44 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.685 -1.26 . . . . 0.0 109.023 179.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -116.44 69.21 0.74 Allowed 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.383 -0.823 . . . . 0.0 109.996 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.586 ' N ' HD12 ' B' ' 70' ' ' LEU . 9.5 mp 48.48 -165.77 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.421 -0.8 . . . . 0.0 110.424 178.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' B' ' 70' ' ' LEU . 3.0 tp10 81.81 15.77 0.49 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.43 113.36 19.45 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.184 -0.947 . . . . 0.0 109.789 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' B' ' 74' ' ' HIS . 5.4 p-80 -90.68 17.08 8.02 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' B' ' 73' ' ' HIS . 2.1 t-160 -33.03 151.5 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.47 0.653 . . . . 0.0 110.903 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.538 ' O ' ' N ' ' B' ' 77' ' ' HIS . 3.0 p80 -146.27 173.35 12.32 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 57.58 -79.23 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.389 -0.819 . . . . 0.0 109.647 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' B' ' 75' ' ' HIS . 17.7 t-160 . . . . . 0 N--CA 1.494 1.755 0 O-C-N 120.941 -1.1 . . . . 0.0 109.581 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.239 0.542 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -70.08 141.89 52.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.45 -45.1 94.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.446 -0.784 . . . . 0.0 110.365 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 m -60.44 -36.75 78.96 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.226 -0.921 . . . . 0.0 109.698 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.674 ' O ' HG23 ' A' ' 9' ' ' VAL . 56.5 t30 -61.8 -45.5 93.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.344 -0.847 . . . . 0.0 109.862 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -70.87 -42.05 70.59 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.157 -0.964 . . . . 0.0 109.678 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.41 -45.0 95.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.838 . . . . 0.0 110.436 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' NZ ' ' OD1' ' A' ' 5' ' ' ASN . 9.5 pttm -65.4 -34.15 77.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.914 . . . . 0.0 109.386 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 5' ' ' ASN . 38.8 t -58.52 -46.25 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.408 -0.807 . . . . 0.0 109.326 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -64.55 -45.6 86.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.86 -1.15 . . . . 0.0 109.574 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -59.59 -44.85 93.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 109.571 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.96 -43.34 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.463 -0.773 . . . . 0.0 109.484 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -58.41 -44.71 89.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.344 -0.847 . . . . 0.0 109.7 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.7 mt -89.66 -1.49 58.03 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.246 -0.908 . . . . 0.0 109.147 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.2 p 41.55 73.71 0.12 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.646 -0.659 . . . . 0.0 109.65 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -98.9 136.15 39.31 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.327 -0.858 . . . . 0.0 109.822 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -89.03 134.79 33.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.501 -0.75 . . . . 0.0 109.721 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.28 83.49 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.43 -0.794 . . . . 0.0 109.68 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -62.75 -46.27 88.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.392 -0.817 . . . . 0.0 109.771 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -60.59 -44.83 95.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.718 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.8 t -66.61 -43.55 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.329 -0.857 . . . . 0.0 109.437 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.59 -46.47 86.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.287 -0.883 . . . . 0.0 110.273 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.29 -38.33 89.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.488 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.5 -51.0 26.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.275 -0.89 . . . . 0.0 109.863 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.3 mtp -64.68 -39.12 93.13 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.413 -0.804 . . . . 0.0 109.599 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.2 30.36 7.06 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -126.63 167.66 20.91 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 O-C-N 121.449 -1.03 . . . . 0.0 109.974 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.3 p -75.12 154.47 37.77 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.363 -0.836 . . . . 0.0 110.356 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -65.52 -39.0 91.29 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.542 -0.724 . . . . 0.0 109.266 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -57.0 -42.11 79.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -63.01 -40.24 97.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.22 -0.925 . . . . 0.0 109.253 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.96 -42.12 98.76 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.404 -0.81 . . . . 0.0 109.497 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 99.0 m -60.94 -36.28 78.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.359 -0.838 . . . . 0.0 109.412 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -64.16 -37.0 85.89 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.18 -44.61 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.966 . . . . 0.0 110.096 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.13 -32.7 72.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 108.955 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -82.57 20.23 1.15 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.358 -0.839 . . . . 0.0 109.301 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 40' ' ' THR . 73.7 m -73.02 -7.14 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.261 -0.9 . . . . 0.0 109.099 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 47.94 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.695 -0.628 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 38' ' ' SER . 13.1 t -98.22 136.53 38.29 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.121 -0.987 . . . . 0.0 109.429 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.06 152.15 94.83 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.232 -0.918 . . . . 0.0 109.979 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.81 160.49 47.77 Favored 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.759 2.306 . . . . 0.0 112.754 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 43' ' ' VAL . 5.7 m -59.8 -20.55 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.377 -0.827 . . . . 0.0 109.136 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.11 -45.52 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.344 -0.847 . . . . 0.0 108.982 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.319 -0.863 . . . . 0.0 108.977 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.75 -39.21 93.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.37 -0.831 . . . . 0.0 109.258 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -60.0 -41.21 91.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.219 -0.926 . . . . 0.0 109.168 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.14 -43.15 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.352 -0.842 . . . . 0.0 109.084 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.42 -34.77 71.16 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.188 -0.945 . . . . 0.0 109.158 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.39 -48.37 81.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.354 -0.841 . . . . 0.0 109.11 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' CD1' HD11 ' B' ' 7' ' ' LEU . 98.7 mt -63.69 -41.37 98.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.343 -0.848 . . . . 0.0 109.202 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -43.39 93.23 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.4 m -60.52 -33.42 72.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.552 -0.717 . . . . 0.0 109.381 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -74.49 3.97 6.76 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.345 -0.847 . . . . 0.0 109.047 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.77 17.18 79.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.7 t -65.44 134.04 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.251 . . . . 0.0 109.437 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.6 64.37 0.19 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.229 -0.919 . . . . 0.0 109.934 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' VAL . 6.1 tp -66.11 -32.76 74.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.666 -0.646 . . . . 0.0 109.266 178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -57.27 -42.77 82.22 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.8 94.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.24 -0.913 . . . . 0.0 109.34 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.26 -46.51 90.08 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.091 -1.006 . . . . 0.0 109.65 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -70.0 -40.05 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.416 -0.802 . . . . 0.0 110.159 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.21 -47.02 54.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.339 -0.851 . . . . 0.0 110.023 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -68.38 -37.81 80.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.849 -1.157 . . . . 0.0 109.747 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.11 -43.95 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.261 -0.899 . . . . 0.0 109.407 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -88.64 117.71 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.175 -0.953 . . . . 0.0 109.522 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.6 m -110.52 128.67 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.307 -0.871 . . . . 0.0 109.891 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -89.99 -167.89 1.97 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.395 -0.816 . . . . 0.0 109.623 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -80.34 100.65 8.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.326 -0.859 . . . . 0.0 109.586 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -164.29 124.07 2.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 0.0 108.862 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -109.01 -1.88 18.61 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.469 ' ND1' ' C ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -155.99 -153.42 0.43 Allowed 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 122.379 1.085 . . . . 0.0 110.915 -178.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.438 ' N ' ' CG ' ' A' ' 72' ' ' HIS . 56.6 t-80 41.65 88.67 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.895 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -84.12 156.67 22.02 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 76.7 t60 -93.37 64.73 3.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.073 -1.017 . . . . 0.0 109.715 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.519 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 0.2 OUTLIER 57.04 127.98 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.753 0.787 . . . . 0.0 110.258 179.478 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 76' ' ' HIS . 35.8 m80 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.11 -0.994 . . . . 0.0 109.117 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.53 135.18 51.17 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.194 -0.941 . . . . 0.0 110.016 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.12 -42.82 96.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.413 -0.804 . . . . 0.0 109.715 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.4 t -60.9 -40.69 94.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.327 -0.858 . . . . 0.0 109.858 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.532 HD22 ' C ' ' B' ' 5' ' ' ASN . 0.3 OUTLIER -61.11 -47.29 86.94 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.222 -0.924 . . . . 0.0 110.034 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 33.1 mm-40 -69.86 -42.07 74.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 51' ' ' LEU . 47.1 tp -62.97 -42.38 99.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.487 -0.758 . . . . 0.0 109.547 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.482 ' NZ ' HH21 ' B' ' 11' ' ' ARG . 63.7 tttp -62.87 -37.97 89.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 109.828 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 5' ' ' ASN . 54.4 t -60.93 -46.65 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.161 -0.962 . . . . 0.0 109.671 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 3.5 mp0 -67.76 -39.21 84.18 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.25 -0.906 . . . . 0.0 109.647 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.482 HH21 ' NZ ' ' B' ' 8' ' ' LYS . 3.5 tmm_? -57.0 -45.03 83.31 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.178 -0.951 . . . . 0.0 108.69 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.13 -44.06 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -60.15 -46.33 90.03 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.249 -0.907 . . . . 0.0 109.761 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' B' ' 14' ' ' LEU . 3.4 mm? -80.84 -2.72 48.5 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.993 -1.067 . . . . 0.0 108.636 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.429 ' C ' ' O ' ' B' ' 14' ' ' LEU . 16.2 m 36.8 57.56 1.15 Allowed 'General case' 0 N--CA 1.499 1.987 0 CA-C-O 121.237 0.541 . . . . 0.0 109.72 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -78.52 147.16 33.95 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.256 -0.902 . . . . 0.0 110.041 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p -97.62 139.9 32.83 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.47 -0.769 . . . . 0.0 110.01 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.59 88.13 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.407 -0.808 . . . . 0.0 110.1 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -62.44 -47.49 83.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.3 -0.875 . . . . 0.0 109.871 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.4 t -62.03 -44.09 97.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.308 -0.87 . . . . 0.0 109.643 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.02 -43.53 96.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.393 -0.817 . . . . 0.0 109.449 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.51 92.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.378 -0.826 . . . . 0.0 110.352 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -65.93 -40.32 91.31 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.923 -1.111 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.06 -56.35 10.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.095 -1.003 . . . . 0.0 109.21 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 83.6 mtp -66.15 -38.55 88.38 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.408 -0.807 . . . . 0.0 109.404 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.26 36.76 6.48 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 pt -126.28 167.36 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.46 -1.024 . . . . 0.0 110.158 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.7 p -73.39 161.94 29.88 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.404 -0.81 . . . . 0.0 110.296 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -65.02 -39.91 94.07 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -65.04 -38.02 89.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -62.28 -38.87 90.99 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 0.0 109.002 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.35 -42.24 99.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.302 -0.874 . . . . 0.0 109.402 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 92.1 m -60.66 -37.1 80.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.307 -0.87 . . . . 0.0 109.526 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -64.56 -36.73 85.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.348 -0.845 . . . . 0.0 109.535 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.01 -43.03 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.194 -0.941 . . . . 0.0 108.957 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' B' ' 38' ' ' SER . 68.0 mt-10 -64.98 -36.31 83.99 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.543 -0.723 . . . . 0.0 109.251 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.27 36.75 0.1 Allowed 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.479 ' H ' ' C ' ' B' ' 36' ' ' GLU . 47.8 t -70.14 100.24 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.319 -0.863 . . . . 0.0 109.71 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' B' ' 40' ' ' THR . 65.5 mm-40 -67.38 99.86 0.77 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.195 -0.94 . . . . 0.0 108.79 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.434 ' O ' ' O ' ' B' ' 39' ' ' GLU . 88.0 m 59.68 143.56 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.34 0.59 . . . . 0.0 109.467 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.4 142.68 89.62 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.307 -0.871 . . . . 0.0 110.381 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.14 161.37 43.36 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.638 2.226 . . . . 0.0 112.952 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 m -60.44 -20.39 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.823 . . . . 0.0 109.517 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.39 -45.59 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.354 -0.841 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.52 -43.03 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.278 -0.889 . . . . 0.0 108.997 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -60.37 -37.69 81.51 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.365 -0.834 . . . . 0.0 109.399 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.85 -43.17 90.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.165 -0.959 . . . . 0.0 108.952 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.78 -42.46 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.5 -35.6 63.29 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.437 -0.789 . . . . 0.0 109.065 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -62.17 -48.15 81.34 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.437 HD22 ' N ' ' B' ' 51' ' ' LEU . 3.8 mm? -65.09 -42.54 93.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.427 -0.796 . . . . 0.0 109.16 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -66.11 -38.79 89.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.401 -0.812 . . . . 0.0 109.331 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 58.2 m -55.33 -33.86 63.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.543 -0.723 . . . . 0.0 109.83 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -83.44 2.66 35.6 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.106 -0.997 . . . . 0.0 109.452 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.48 26.79 69.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' B' ' 58' ' ' LEU . 54.4 t -68.19 135.09 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 120.987 -1.302 . . . . 0.0 109.479 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -47.52 83.7 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.723 -0.611 . . . . 0.0 110.365 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' B' ' 56' ' ' VAL . 57.3 tp -91.73 -42.65 10.02 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.338 -0.851 . . . . 0.0 109.699 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -54.54 28.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 109.645 -179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.16 95.44 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.065 -1.022 . . . . 0.0 109.475 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tp -41.57 -57.9 2.1 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.691 -0.631 . . . . 0.0 110.268 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.69 -44.49 93.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.324 -0.86 . . . . 0.0 109.532 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -44.6 -33.74 1.9 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.503 -0.748 . . . . 0.0 109.927 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -65.09 -42.49 94.03 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.264 -0.897 . . . . 0.0 109.153 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.14 -44.03 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.403 -0.81 . . . . 0.0 110.27 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 24.1 pt -90.19 133.35 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.186 -0.946 . . . . 0.0 111.203 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 92.7 t -78.72 -21.15 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.775 . . . . 0.0 109.228 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' B' ' 70' ' ' LEU . 7.4 t-20 60.93 33.44 19.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.613 -0.679 . . . . 0.0 109.334 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 68' ' ' ASN . 52.3 mtmt 39.61 25.1 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.667 -0.645 . . . . 0.0 109.705 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' B' ' 68' ' ' ASN . 56.3 tp -66.05 105.47 1.36 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.364 -0.835 . . . . 0.0 109.574 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.504 ' C ' ' CG ' ' B' ' 72' ' ' HIS . 45.9 mt-10 -102.3 124.8 48.52 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.49 -0.756 . . . . 0.0 110.247 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.504 ' CG ' ' C ' ' B' ' 71' ' ' GLU . 1.1 m170 73.96 170.21 0.3 Allowed 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 121.794 0.807 . . . . 0.0 111.413 178.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' B' ' 72' ' ' HIS . 37.3 t-80 37.35 88.1 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.269 0.557 . . . . 0.0 110.4 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -74.6 128.71 36.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.276 -0.89 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -77.01 89.22 3.55 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.379 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -175.01 84.72 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.312 -0.868 . . . . 0.0 108.741 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 31.8 p80 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.126 -179.646 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 4.1 pm0 -71.38 150.03 45.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.384 -0.822 . . . . 0.0 109.422 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.53 -38.81 92.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.489 -0.757 . . . . 0.0 110.443 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.0 t -57.36 -45.71 84.09 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.962 -1.086 . . . . 0.0 109.875 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -65.03 -40.14 94.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.133 -0.979 . . . . 0.0 109.102 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -65.51 -39.88 92.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.302 -0.873 . . . . 0.0 109.186 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.84 -39.9 95.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.377 -0.827 . . . . 0.0 109.089 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.86 -42.73 98.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.551 -0.718 . . . . 0.0 110.045 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.84 -44.98 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.113 -0.992 . . . . 0.0 110.056 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -62.55 -32.36 73.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.106 -0.996 . . . . 0.0 109.482 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -73.58 -41.01 63.46 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.05 -1.031 . . . . 0.0 109.832 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.61 -50.48 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.328 -0.858 . . . . 0.0 111.049 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -36.11 82.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.123 -0.986 . . . . 0.0 109.317 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt -82.75 -5.1 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 108.734 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t 42.36 71.7 0.21 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.58 -0.7 . . . . 0.0 109.926 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.3 mt -107.77 128.18 54.35 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.504 -0.748 . . . . 0.0 109.593 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p -87.4 158.35 19.02 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.506 -0.746 . . . . 0.0 110.271 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.22 78.34 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.55 -0.719 . . . . 0.0 109.5 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.446 ' HG2' ' HE ' ' A' ' 29' ' ' ARG . 8.6 mtmp? -65.91 -43.49 88.02 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.43 -0.793 . . . . 0.0 110.327 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -61.69 -44.48 96.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -0.888 . . . . 0.0 110.224 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.52 -44.71 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.98 . . . . 0.0 109.377 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -37.14 84.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.752 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.77 -54.23 47.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.258 -0.902 . . . . 0.0 108.987 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.14 -44.03 73.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.251 -0.905 . . . . 0.0 109.842 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 85.4 mmm -64.73 -39.65 94.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.268 -0.895 . . . . 0.0 109.146 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.31 32.4 22.83 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.7 pt -123.29 168.53 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.559 -0.965 . . . . 0.0 109.976 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 m -71.57 152.65 42.76 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.858 0.837 . . . . 0.0 110.166 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HE ' ' HG2' ' A' ' 19' ' ' LYS . 72.1 mtt85 -64.79 -37.15 86.63 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.317 -0.864 . . . . 0.0 109.28 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -60.69 -45.27 94.83 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 108.893 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.84 -42.81 99.5 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.453 0.644 . . . . 0.0 109.408 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.11 -31.58 72.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.267 -0.896 . . . . 0.0 109.161 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -61.35 -45.95 92.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 0.0 109.618 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -66.71 -43.67 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.123 -0.985 . . . . 0.0 109.725 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -67.31 -36.82 82.28 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.384 -0.823 . . . . 0.0 109.994 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -78.44 12.54 1.92 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.917 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -97.24 119.82 36.45 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.228 -0.92 . . . . 0.0 109.368 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -92.25 -11.06 36.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.285 -0.885 . . . . 0.0 109.75 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -124.36 131.76 53.52 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.622 -0.674 . . . . 0.0 109.33 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.17 146.93 68.29 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.405 -0.81 . . . . 0.0 109.84 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.46 158.46 51.15 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.661 2.241 . . . . 0.0 112.917 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 44' ' ' VAL . 12.6 p -67.25 -37.25 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.444 -0.785 . . . . 0.0 109.958 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 2.8 m -46.39 -42.4 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.27 -0.894 . . . . 0.0 109.465 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 53.1 t -65.52 -43.81 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.312 -0.868 . . . . 0.0 108.849 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.78 -38.25 87.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 0.0 109.119 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.531 ' OH ' ' NH2' ' B' ' 11' ' ' ARG . 23.1 t80 -60.35 -41.59 93.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.399 -0.813 . . . . 0.0 109.419 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.16 -43.45 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.085 -1.009 . . . . 0.0 108.844 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.14 -34.86 77.16 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.38 -0.825 . . . . 0.0 109.358 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -60.39 -48.42 81.81 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.178 -0.951 . . . . 0.0 109.401 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' B' ' 7' ' ' LEU . 91.7 mt -65.1 -42.18 94.24 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.202 -0.936 . . . . 0.0 109.505 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.9 -34.58 78.73 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.36 -0.837 . . . . 0.0 108.965 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -59.01 -21.59 59.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -93.0 1.07 57.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.0 108.87 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.14 24.75 54.05 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.41 134.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.039 -1.271 . . . . 0.0 109.72 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.77 53.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.62 -0.675 . . . . 0.0 109.754 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.0 tp -78.69 -10.7 59.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.313 -0.867 . . . . 0.0 108.778 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.7 -31.69 73.02 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.513 -0.742 . . . . 0.0 109.183 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.58 -46.35 88.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.995 -1.065 . . . . 0.0 109.457 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.9 -39.7 93.93 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.0 108.843 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.28 -50.24 48.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.2 -0.938 . . . . 0.0 109.844 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -50.72 -40.81 55.2 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' O ' ' OD1' ' A' ' 68' ' ' ASN . 24.2 ttm180 -61.03 -49.79 75.97 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.601 -0.687 . . . . 0.0 109.396 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.03 -44.01 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.162 -0.961 . . . . 0.0 110.839 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 67' ' ' VAL . 96.5 mt -56.89 -87.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.194 -0.941 . . . . 0.0 111.431 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 67' ' ' VAL . 12.4 p -77.41 127.5 38.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.326 -0.859 . . . . 0.0 110.903 -177.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 64' ' ' ARG . 88.8 m-20 -138.09 -57.3 0.66 Allowed 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -143.53 69.58 1.29 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CG ' ' H ' ' A' ' 71' ' ' GLU . 3.9 tp -69.02 -146.49 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.407 -0.808 . . . . 0.0 109.663 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' H ' ' CG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -91.01 94.1 9.48 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.146 -0.971 . . . . 0.0 109.688 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.408 ' C ' ' CD2' ' A' ' 73' ' ' HIS . 35.3 p80 -165.41 157.54 15.14 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' A' ' 72' ' ' HIS . 1.4 p80 -177.27 131.01 0.17 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.003 -1.061 . . . . 0.0 109.281 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.451 ' O ' ' CE1' ' A' ' 76' ' ' HIS . 10.5 m170 -86.78 162.68 17.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -0.828 . . . . 0.0 109.153 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -79.75 129.67 34.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.905 . . . . 0.0 109.647 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.451 ' CE1' ' O ' ' A' ' 74' ' ' HIS . 50.2 m80 -130.37 133.58 46.51 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.448 -0.782 . . . . 0.0 109.506 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 66.9 t60 . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.31 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 56.3 mt-10 -76.01 164.45 26.15 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.361 -0.837 . . . . 0.0 110.856 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.23 -44.09 97.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.681 -0.637 . . . . 0.0 109.305 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t -66.18 -26.78 67.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.799 . . . . 0.0 109.714 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.73 -46.23 89.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.84 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 3.2 mp0 -70.09 -36.37 74.84 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.154 -0.966 . . . . 0.0 109.262 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 51' ' ' LEU . 36.8 tp -62.69 -42.11 99.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 108.939 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.37 -40.85 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.874 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.37 -44.45 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.319 -0.863 . . . . 0.0 109.528 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -55.34 -44.66 76.11 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.168 -0.958 . . . . 0.0 109.803 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.531 ' NH2' ' OH ' ' A' ' 47' ' ' TYR . 32.5 ttm105 -58.61 -44.94 90.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 109.303 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.5 -42.59 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.4 -0.812 . . . . 0.0 109.447 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -44.37 84.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 109.358 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' B' ' 15' ' ' SER . 92.7 mt -93.73 -3.14 52.79 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' B' ' 11' ' ' ARG . 2.9 t 41.13 78.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.352 0.596 . . . . 0.0 110.096 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.95 133.14 52.05 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.465 -0.772 . . . . 0.0 109.647 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.418 ' HG1' ' HB2' ' B' ' 20' ' ' SER . 82.1 p -84.8 159.54 20.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.528 -0.733 . . . . 0.0 110.159 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.98 78.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.567 -0.708 . . . . 0.0 109.497 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' B' ' 20' ' ' SER . 19.2 pttp -67.64 -43.43 80.34 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.286 -0.883 . . . . 0.0 109.947 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' B' ' 19' ' ' LYS . 68.9 m -64.83 -47.07 79.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.856 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.6 -44.11 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 110.026 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.75 98.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.405 -0.809 . . . . 0.0 110.434 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OE2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -66.32 -46.2 77.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.126 -0.984 . . . . 0.0 109.754 -179.444 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.439 ' OE2' ' OE1' ' B' ' 23' ' ' GLU . 75.5 mm-40 -69.8 -39.5 76.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.178 -0.951 . . . . 0.0 109.293 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -64.2 -38.28 90.49 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.341 -0.849 . . . . 0.0 109.346 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.21 24.02 15.63 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 pt -124.23 164.93 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.499 -1.001 . . . . 0.0 109.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.4 p -75.46 161.28 29.34 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 121.83 0.824 . . . . 0.0 110.538 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -65.13 -38.54 90.97 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.524 0.678 . . . . 0.0 109.176 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.87 -38.44 90.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.374 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -61.69 -41.33 97.42 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.268 -0.895 . . . . 0.0 109.114 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.32 -43.09 98.79 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.0 109.602 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 97.2 m -60.66 -34.79 74.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.0 109.51 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -62.73 -39.91 95.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 109.09 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.62 -43.82 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.289 -0.882 . . . . 0.0 109.475 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.495 ' OE1' ' NH1' ' B' ' 11' ' ' ARG . 1.8 mt-10 -70.06 -18.49 63.28 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.31 -0.869 . . . . 0.0 109.96 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -85.23 -2.44 58.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 108.994 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -72.09 144.65 48.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.319 -0.863 . . . . 0.0 110.326 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -80.64 -80.33 0.14 Allowed 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -99.87 172.77 7.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.404 -0.81 . . . . 0.0 109.864 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.19 149.13 40.79 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.788 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.9 154.1 71.53 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.576 2.184 . . . . 0.0 112.973 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.436 ' H ' HG22 ' B' ' 43' ' ' VAL . 4.3 m -65.69 -29.79 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.573 -0.704 . . . . 0.0 110.302 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.445 HG13 ' N ' ' B' ' 45' ' ' VAL . 8.8 p -44.98 -35.92 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.318 -0.864 . . . . 0.0 109.353 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.445 ' N ' HG13 ' B' ' 44' ' ' VAL . 71.9 t -66.41 -43.17 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.479 -0.763 . . . . 0.0 109.09 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.75 -40.82 96.47 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -0.866 . . . . 0.0 109.646 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -60.96 -44.4 97.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.15 -0.969 . . . . 0.0 109.763 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.422 ' CG2' HD21 ' B' ' 58' ' ' LEU . 95.8 mt -62.36 -42.97 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.128 -0.982 . . . . 0.0 108.721 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.678 ' HB1' HH21 ' B' ' 52' ' ' ARG . . . -60.9 -35.48 76.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 0.0 109.341 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.74 -46.63 89.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.312 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.77 -41.87 99.43 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.942 -1.099 . . . . 0.0 109.141 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.678 HH21 ' HB1' ' B' ' 49' ' ' ALA . 2.0 tmm_? -62.69 -40.32 96.76 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.383 -0.823 . . . . 0.0 109.837 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 29.5 m -58.34 -22.58 53.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.067 -1.02 . . . . 0.0 109.508 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -86.01 3.36 42.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.151 -0.968 . . . . 0.0 108.958 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.66 19.57 67.98 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' B' ' 58' ' ' LEU . 47.4 t -60.89 146.66 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -1.158 . . . . 0.0 110.183 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.01 37.87 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.686 -0.634 . . . . 0.0 109.802 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' B' ' 56' ' ' VAL . 11.5 tp -63.15 -39.77 95.64 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.381 -0.824 . . . . 0.0 109.273 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -60.21 -42.05 94.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.251 -0.905 . . . . 0.0 109.149 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.46 83.21 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.421 -0.8 . . . . 0.0 110.365 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.17 -42.78 95.7 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.167 -0.958 . . . . 0.0 109.897 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -64.63 -43.6 93.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.908 -1.12 . . . . 0.0 109.669 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -49.83 -39.46 38.79 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.943 -1.098 . . . . 0.0 109.237 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' B' ' 64' ' ' ARG . 13.1 mtp180 -65.94 -48.4 71.49 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.164 -0.96 . . . . 0.0 109.009 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.17 -42.99 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.618 -0.676 . . . . 0.0 110.684 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 89.0 mt -51.96 135.81 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 122.109 0.957 . . . . 0.0 110.81 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.444 ' O ' HG13 ' B' ' 67' ' ' VAL . 3.0 p -51.1 100.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 121.609 0.719 . . . . 0.0 111.117 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -75.79 -44.87 39.22 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.37 -0.831 . . . . 0.0 109.35 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -81.43 141.27 34.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.424 -0.797 . . . . 0.0 110.657 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 40.1 tp -172.8 -72.9 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -94.16 -129.85 0.14 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.459 -0.776 . . . . 0.0 109.745 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.531 ' N ' ' CD2' ' B' ' 72' ' ' HIS . 2.8 m170 45.32 83.16 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.304 -0.872 . . . . 0.0 109.448 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -62.99 152.42 36.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.396 -0.815 . . . . 0.0 109.969 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 91.02 3.24 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.404 ' CD2' ' C ' ' B' ' 75' ' ' HIS . 0.5 OUTLIER -96.69 35.26 1.54 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.46 170.91 0.06 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 121.711 0.767 . . . . 0.0 110.527 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' B' ' 77' ' ' HIS . 17.2 t60 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.38 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 121.392 0.615 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.42 -85.86 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.68 -44.81 95.3 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.377 -0.827 . . . . 0.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -71.67 -20.4 61.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.467 -0.77 . . . . 0.0 109.933 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 9' ' ' VAL . 28.0 t30 -62.62 -50.72 70.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.144 -0.973 . . . . 0.0 109.803 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.58 -32.2 65.83 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.372 -0.83 . . . . 0.0 108.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.599 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.2 tt -58.49 -47.41 84.19 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.534 -0.728 . . . . 0.0 109.254 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 56.8 mtpt -63.6 -40.76 97.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.095 -1.003 . . . . 0.0 108.862 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.548 ' CG1' ' HE ' ' A' ' 13' ' ' ARG . 83.2 t -61.41 -45.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.649 -0.657 . . . . 0.0 109.901 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.53 -42.37 87.61 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.853 -1.154 . . . . 0.0 109.889 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 HH11 ' CD ' ' A' ' 36' ' ' GLU . 64.5 ttt180 -60.7 -43.39 97.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.2 -0.937 . . . . 0.0 109.127 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.01 -44.23 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.762 -0.586 . . . . 0.0 110.055 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.548 ' HE ' ' CG1' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -62.38 -42.93 99.8 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.09 -1.006 . . . . 0.0 108.875 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' SER . 82.2 mt -87.53 -5.61 58.71 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' ARG . 60.5 p 38.81 66.87 0.48 Allowed 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.32 0.581 . . . . 0.0 109.878 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.1 mt -78.9 154.31 29.8 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.466 -0.771 . . . . 0.0 109.939 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 p -79.04 130.88 35.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.551 -0.718 . . . . 0.0 110.135 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.96 -38.26 82.56 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.571 -0.706 . . . . 0.0 109.846 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -62.01 -45.08 95.18 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.259 -0.901 . . . . 0.0 109.856 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.5 m -60.05 -45.94 91.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.149 -0.969 . . . . 0.0 109.607 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.09 -47.6 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.321 -0.862 . . . . 0.0 110.339 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.28 86.97 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.289 -0.882 . . . . 0.0 111.072 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.04 -48.0 69.66 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.941 -1.1 . . . . 0.0 110.346 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -69.95 -37.57 75.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.166 -0.959 . . . . 0.0 109.9 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 55.5 mmm -62.82 -38.19 89.77 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.402 -0.811 . . . . 0.0 109.421 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.27 26.32 16.3 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.1 pt -125.84 161.79 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.657 -0.908 . . . . 0.0 109.54 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 t -76.8 159.61 29.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.453 -0.779 . . . . 0.0 110.333 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -62.34 -34.14 76.07 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.447 -0.783 . . . . 0.0 109.274 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.41 -44.79 76.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.21 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.46 ' NE2' HG11 ' B' ' 43' ' ' VAL . 58.5 tt0 -66.89 -37.31 84.14 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.299 -0.875 . . . . 0.0 108.976 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.07 -42.43 99.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.445 -0.785 . . . . 0.0 109.315 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.8 m -62.53 -35.81 80.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 108.957 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.85 -36.91 84.81 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.388 -0.82 . . . . 0.0 109.104 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.54 -43.46 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.144 -0.972 . . . . 0.0 108.695 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' CD ' HH11 ' A' ' 11' ' ' ARG . 28.7 mm-40 -56.56 -34.11 66.78 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 38' ' ' SER . 55.9 tp60 -80.12 39.53 0.45 Allowed 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 37' ' ' GLN . 9.6 p -36.99 144.33 0.07 Allowed 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.561 0.696 . . . . 0.0 111.029 -178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 40' ' ' THR . 82.9 tt0 -140.36 86.03 2.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.625 -0.672 . . . . 0.0 109.273 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 39' ' ' GLU . 5.5 m 59.93 131.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.51 0.672 . . . . 0.0 109.76 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.77 151.02 93.3 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.214 -0.929 . . . . 0.0 109.704 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -71.07 149.81 59.17 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.357 2.038 . . . . 0.0 112.55 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 43' ' ' VAL . 4.3 m -69.19 -17.24 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.576 -0.703 . . . . 0.0 110.202 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 45' ' ' VAL . 3.3 m -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.153 -0.967 . . . . 0.0 109.2 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' N ' HG23 ' A' ' 44' ' ' VAL . 73.0 t -62.44 -43.72 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.379 -0.826 . . . . 0.0 109.054 179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.27 -40.57 94.61 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.503 -0.748 . . . . 0.0 109.142 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -60.63 -40.89 93.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.235 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.4 -44.08 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.25 -0.906 . . . . 0.0 109.295 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.35 83.35 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.27 -0.894 . . . . 0.0 109.072 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' B' ' 21' ' ' VAL . 37.5 t80 -60.39 -45.65 92.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.441 -0.787 . . . . 0.0 109.841 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.437 HD11 HD11 ' B' ' 7' ' ' LEU . 94.7 mt -62.3 -42.5 99.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.895 . . . . 0.0 109.319 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -64.8 -19.91 66.09 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 p -62.95 -36.08 82.27 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.249 -0.907 . . . . 0.0 108.695 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.08 -6.24 42.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.332 -0.855 . . . . 0.0 109.648 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.65 47.04 5.53 Favored Glycine 0 N--CA 1.494 2.537 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.035 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.14 -20.51 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.25 . . . . 0.0 109.068 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 76.97 69.81 0.06 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.526 0.679 . . . . 0.0 109.757 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.559 ' H ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 pt? -79.13 -6.06 55.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.53 -0.731 . . . . 0.0 109.224 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -60.99 -45.34 95.21 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.399 -0.813 . . . . 0.0 109.652 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.57 -37.31 79.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.387 -0.821 . . . . 0.0 109.821 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.51 -47.76 84.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.146 -0.971 . . . . 0.0 109.642 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -70.97 -35.43 72.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.925 . . . . 0.0 109.798 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -54.84 -45.71 74.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.209 -0.932 . . . . 0.0 110.394 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.43 -43.81 96.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.87 -1.144 . . . . 0.0 109.278 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.2 mt -69.13 -71.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.376 -0.828 . . . . 0.0 109.912 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 pt -84.75 134.5 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.349 -0.845 . . . . 0.0 109.94 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 67' ' ' VAL . 9.6 p -119.81 127.75 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.457 -0.777 . . . . 0.0 109.183 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -157.14 110.73 2.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.187 -0.946 . . . . 0.0 108.989 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.52 145.6 43.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.433 -0.792 . . . . 0.0 110.457 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.3 mm? -90.69 0.69 57.32 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.526 -0.734 . . . . 0.0 109.084 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 73' ' ' HIS . 25.4 mm-40 -92.56 -24.07 18.86 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.251 -0.906 . . . . 0.0 109.098 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' A' ' 71' ' ' GLU . 9.4 p-80 22.8 44.18 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.528 0 CA-C-O 121.648 0.737 . . . . 0.0 111.268 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 71' ' ' GLU . 44.6 t60 -95.37 124.34 39.35 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.447 -0.783 . . . . 0.0 109.507 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 74' ' ' HIS . 12.2 t-80 43.6 41.84 3.73 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.437 -0.789 . . . . 0.0 109.674 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.3 m80 47.25 -108.73 0.22 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.458 -0.776 . . . . 0.0 110.048 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.514 ' ND1' ' N ' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -151.74 162.13 41.52 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.316 -0.865 . . . . 0.0 109.329 -179.665 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 N--CA 1.5 2.057 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.307 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ttt . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -148.99 -85.39 0.09 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.232 -0.918 . . . . 0.0 109.545 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.04 -49.05 77.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.448 -0.782 . . . . 0.0 110.118 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.8 t -67.18 -42.57 84.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.909 . . . . 0.0 109.569 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.1 -45.92 86.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.512 -0.743 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.421 ' O ' ' OE2' ' B' ' 10' ' ' GLU . 19.4 tt0 -66.95 -33.29 75.25 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.094 -1.004 . . . . 0.0 109.171 -179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.437 HD11 HD11 ' A' ' 51' ' ' LEU . 59.4 tp -61.16 -44.36 97.44 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.468 -0.77 . . . . 0.0 109.273 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.86 -36.49 83.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 108.998 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.82 -45.21 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.59 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' B' ' 6' ' ' GLU . 1.1 mp0 -58.25 -40.5 81.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.967 -1.083 . . . . 0.0 109.196 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' SER . 25.4 ttp180 -58.53 -45.47 88.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.239 -0.913 . . . . 0.0 109.031 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.38 -42.83 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.847 -0.533 . . . . 0.0 109.896 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -58.87 -44.26 91.04 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 109.674 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 95.6 mt -95.69 -3.37 46.16 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.93 . . . . 0.0 108.687 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' ARG . 12.5 t 41.51 77.05 0.06 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.763 -0.586 . . . . 0.0 110.081 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.3 mp -82.95 159.18 22.32 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.154 -0.966 . . . . 0.0 110.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -99.05 133.07 43.85 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.437 0.637 . . . . 0.0 109.717 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.47 86.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.473 -0.767 . . . . 0.0 109.681 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -63.12 -46.04 89.16 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.126 -0.983 . . . . 0.0 110.003 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -64.05 -49.33 72.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.974 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.444 HG22 ' CZ ' ' A' ' 50' ' ' PHE . 92.8 t -67.17 -45.84 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.328 -0.858 . . . . 0.0 110.29 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.69 -47.82 81.96 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.34 -0.85 . . . . 0.0 110.234 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.82 -42.7 85.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -0.996 . . . . 0.0 110.203 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -71.09 -43.01 68.59 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.157 -0.965 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 92.2 mtp -66.04 -39.18 89.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.948 -1.095 . . . . 0.0 109.555 179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.33 27.94 7.43 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 109.997 -1.241 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -126.21 161.83 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.411 -1.053 . . . . 0.0 109.356 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 42.2 t -73.77 156.7 37.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.536 -0.728 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -63.56 -37.9 89.07 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.463 -0.773 . . . . 0.0 109.401 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -56.2 -42.31 76.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.406 -0.809 . . . . 0.0 109.019 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -67.19 -39.39 86.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.811 . . . . 0.0 109.335 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.25 -43.91 97.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.154 -0.966 . . . . 0.0 109.213 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -66.18 -33.1 74.99 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 108.804 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.26 -37.78 86.76 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.37 -43.84 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -65.34 -23.63 67.05 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -89.79 -0.09 57.34 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.378 -0.826 . . . . 0.0 108.99 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 36.9 t -56.35 141.5 41.59 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.25 -0.906 . . . . 0.0 109.848 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -110.29 -52.09 2.81 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.612 -0.68 . . . . 0.0 109.951 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 98.6 m -118.03 131.81 56.43 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.5 -0.75 . . . . 0.0 109.364 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.97 152.92 80.08 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.292 -0.88 . . . . 0.0 109.744 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.28 151.68 71.82 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.627 2.218 . . . . 0.0 112.516 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.46 HG11 ' NE2' ' A' ' 31' ' ' GLN . 16.8 m -64.96 -12.37 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.624 -0.672 . . . . 0.0 109.861 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.1 t -59.17 -42.86 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.0 109.443 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.27 -46.45 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.153 -0.967 . . . . 0.0 109.066 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.59 -39.06 93.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.263 -0.898 . . . . 0.0 109.14 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -58.92 -43.27 91.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.499 -0.751 . . . . 0.0 109.206 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.82 -43.08 96.81 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.9 73.76 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.483 -0.76 . . . . 0.0 109.195 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.618 ' CZ ' ' NZ ' ' B' ' 54' ' ' LYS . 6.5 t80 -70.34 -28.32 65.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.044 -1.035 . . . . 0.0 109.814 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 7' ' ' LEU . 96.9 mt -73.36 -50.69 20.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.728 -1.233 . . . . 0.0 110.189 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -67.11 -21.57 65.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.092 -1.005 . . . . 0.0 109.038 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.8 m -59.26 -33.44 71.05 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.633 -0.667 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.618 ' NZ ' ' CZ ' ' B' ' 50' ' ' PHE . 14.6 mptt -91.32 7.52 40.55 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.376 -0.827 . . . . 0.0 109.4 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.26 19.72 56.51 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 51' ' ' LEU . 60.1 t -59.81 147.32 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.247 -1.149 . . . . 0.0 109.235 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.07 47.82 0.11 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.528 HD13 ' O ' ' B' ' 58' ' ' LEU . 0.2 OUTLIER -62.16 -40.68 96.8 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.496 -0.752 . . . . 0.0 109.116 -179.351 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -59.96 -40.27 88.47 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.77 81.7 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.552 -0.717 . . . . 0.0 109.57 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.507 ' O ' HD23 ' B' ' 61' ' ' LEU . 1.7 tt -60.08 -49.18 78.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.207 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -70.83 -35.46 72.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.11 -0.993 . . . . 0.0 109.617 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.68 -43.34 57.51 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.132 -0.98 . . . . 0.0 109.786 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -60.94 -35.36 76.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.961 -1.087 . . . . 0.0 108.673 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.1 mt -81.04 -69.75 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.863 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 33.5 pt -82.4 139.47 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.234 -0.916 . . . . 0.0 110.279 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 t -89.5 114.33 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.209 -0.932 . . . . 0.0 109.226 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.404 ' ND2' ' H ' ' B' ' 68' ' ' ASN . 0.2 OUTLIER -99.37 104.47 16.35 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.161 -0.962 . . . . 0.0 109.386 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -175.24 150.6 1.17 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.491 -0.756 . . . . 0.0 109.262 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' B' ' 72' ' ' HIS . 48.7 tp -48.93 -72.67 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.266 -0.896 . . . . 0.0 109.963 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' B' ' 73' ' ' HIS . 51.4 mt-10 55.08 -115.11 0.92 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.698 -0.626 . . . . 0.0 110.635 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' B' ' 70' ' ' LEU . 37.0 m170 64.5 -31.75 0.13 Allowed 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.692 -0.63 . . . . 0.0 109.703 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.702 ' CG ' ' H ' ' B' ' 74' ' ' HIS . 2.4 t60 -64.86 -168.38 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.071 -1.018 . . . . 0.0 109.475 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.702 ' H ' ' CG ' ' B' ' 73' ' ' HIS . 22.8 p-80 -35.02 127.78 0.51 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.655 0.741 . . . . 0.0 111.423 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.57 -179.6 4.75 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.44 0.638 . . . . 0.0 109.548 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -72.23 49.56 0.2 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.475 -0.765 . . . . 0.0 109.735 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' B' ' 77' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.612 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.443 ' O ' ' O ' ' A' ' 2' ' ' GLU . 62.2 ttp . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 1' ' ' MET . 77.7 mm-40 58.21 142.93 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.699 0.761 . . . . 0.0 110.634 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' B' ' 65' ' ' ILE . 59.5 mt -63.9 -40.56 96.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.663 -0.648 . . . . 0.0 110.16 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -44.75 -55.79 5.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.397 -0.814 . . . . 0.0 110.213 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.5 t30 -65.56 -40.5 92.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.385 -0.822 . . . . 0.0 110.111 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.77 -48.46 79.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 109.866 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.463 HD23 ' CE1' ' B' ' 47' ' ' TYR . 11.1 mp -62.92 -40.82 98.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 108.654 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -61.91 -39.19 91.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.44 -0.787 . . . . 0.0 109.328 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 5' ' ' ASN . 48.4 t -60.4 -47.24 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.334 -0.854 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -66.31 -37.23 84.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.143 -0.973 . . . . 0.0 108.748 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 15' ' ' SER . 53.4 ttt180 -61.57 -45.93 92.05 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.589 -0.694 . . . . 0.0 109.658 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.573 -0.704 . . . . 0.0 109.837 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 13' ' ' ARG . 41.6 ttm180 -65.77 -43.2 89.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.319 -0.863 . . . . 0.0 109.407 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' SER . 84.0 mt -90.12 0.8 56.97 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.308 -0.87 . . . . 0.0 108.932 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' ARG . 24.5 p 35.47 81.51 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.134 0 CA-C-O 121.493 0.663 . . . . 0.0 110.533 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -109.15 136.66 48.27 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.524 -0.735 . . . . 0.0 109.121 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.1 p -88.06 138.97 30.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.449 -0.782 . . . . 0.0 110.48 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.34 90.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.8 -0.562 . . . . 0.0 109.805 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.33 -46.13 88.04 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.074 -1.016 . . . . 0.0 109.599 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -64.81 -46.81 80.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.249 -0.907 . . . . 0.0 109.72 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.73 -43.81 93.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.363 -0.836 . . . . 0.0 109.665 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.11 76.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.496 -0.753 . . . . 0.0 110.148 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -68.79 -35.97 77.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.185 -0.947 . . . . 0.0 110.25 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -46.78 69.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.957 -1.089 . . . . 0.0 109.11 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.9 mtp -63.69 -39.18 93.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.601 -0.687 . . . . 0.0 109.409 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.02 7.12 Favored Glycine 0 N--CA 1.498 2.813 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -125.68 162.8 28.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.478 -1.013 . . . . 0.0 109.66 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -71.26 151.82 43.89 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.643 0.735 . . . . 0.0 109.844 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 29' ' ' ARG . 1.9 ttp180 -60.89 -40.57 93.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.741 -0.6 . . . . 0.0 109.758 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -40.23 72.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.991 . . . . 0.0 109.101 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.62 -46.51 78.99 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.361 -0.837 . . . . 0.0 109.399 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.4 -39.14 91.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.379 -0.826 . . . . 0.0 109.635 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.7 m -57.67 -41.37 81.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.87 . . . . 0.0 109.795 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -63.54 -43.15 97.93 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.194 -0.941 . . . . 0.0 109.681 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.45 -44.09 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.235 -0.916 . . . . 0.0 109.393 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.53 -31.97 73.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.584 -0.698 . . . . 0.0 110.118 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 38' ' ' SER . 84.9 mt-30 -84.93 -4.68 59.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.997 -1.065 . . . . 0.0 109.736 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 1.4 m 163.11 115.49 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.17 120.19 41.47 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.745 0.783 . . . . 0.0 109.163 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.0 p -83.05 166.7 18.54 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.211 -0.931 . . . . 0.0 109.708 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.1 109.06 60.8 Favored Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 121.424 -0.798 . . . . 0.0 109.213 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.68 163.24 29.35 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.219 1.946 . . . . 0.0 112.908 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 43' ' ' VAL . 12.4 m -62.04 -19.18 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.477 -0.764 . . . . 0.0 109.849 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.44 -43.64 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.247 -0.908 . . . . 0.0 108.992 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.54 -42.65 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.801 . . . . 0.0 109.238 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.71 -42.5 88.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.112 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' B' ' 32' ' ' LEU . 0.4 OUTLIER -60.86 -47.94 84.08 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.151 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.49 -44.05 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.442 -0.786 . . . . 0.0 109.619 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.31 99.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.207 -0.933 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CZ ' ' OE2' ' B' ' 24' ' ' GLU . 46.8 t80 -62.37 -46.35 89.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.497 -0.752 . . . . 0.0 109.743 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' B' ' 7' ' ' LEU . 93.2 mt -63.68 -41.32 98.17 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.195 -0.941 . . . . 0.0 109.356 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -64.62 -36.58 84.7 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.406 -0.809 . . . . 0.0 109.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.8 p -59.53 -21.99 61.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.209 -0.932 . . . . 0.0 109.443 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.5 -1.61 55.4 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.26 -0.9 . . . . 0.0 109.352 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.24 24.67 58.85 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.15 -19.66 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.104 -1.233 . . . . 0.0 108.904 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 63.9 83.46 0.16 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.613 0.721 . . . . 0.0 110.314 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 58' ' ' LEU . 3.7 mm? -84.47 -4.43 58.93 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 p30 -61.41 -45.0 96.15 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.52 -0.737 . . . . 0.0 109.184 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -66.57 -44.81 81.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.0 109.737 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.27 -46.34 87.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.232 -0.918 . . . . 0.0 109.874 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -70.92 -31.52 68.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.355 -0.84 . . . . 0.0 109.439 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.68 -37.27 78.32 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.391 -0.818 . . . . 0.0 109.072 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -62.5 -36.36 82.28 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.4 mm -65.0 -44.98 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 120.959 -1.088 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.1 mt -91.94 97.43 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.258 -0.901 . . . . 0.0 109.613 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.434 HG12 ' OD1' ' A' ' 68' ' ' ASN . 46.5 t -149.1 -89.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.464 -0.773 . . . . 0.0 109.075 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.699 ' ND2' ' H ' ' A' ' 69' ' ' LYS . 1.2 p-10 -122.58 -63.13 1.3 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.45 -0.782 . . . . 0.0 109.866 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.699 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 93.8 mttt -82.58 147.2 28.74 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.083 -1.011 . . . . 0.0 110.257 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.69 67.14 1.17 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -70.7 130.37 41.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 0.0 110.29 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' HIS . 31.2 t-80 -168.56 -65.34 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' HIS . 1.3 t60 37.56 -113.33 0.11 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-O 121.236 0.541 . . . . 0.0 110.793 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -143.69 150.7 39.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.269 -0.894 . . . . 0.0 109.593 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.526 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 7.5 p-80 -159.68 -37.43 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.526 ' N ' ' CD2' ' A' ' 75' ' ' HIS . 14.4 m170 51.68 80.74 0.08 Allowed 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.651 0.739 . . . . 0.0 109.499 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.902 -1.047 . . . . 0.0 109.183 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.6 mpp? . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.312 0.577 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -76.74 161.37 28.55 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.464 -0.772 . . . . 0.0 110.05 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.2 mt -62.63 -40.29 96.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.689 . . . . 0.0 109.671 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.3 t -59.24 -47.33 85.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 110.154 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -68.88 -42.22 77.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.189 -0.945 . . . . 0.0 109.782 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.443 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 42.1 mt-10 -65.75 -42.73 90.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.353 -0.842 . . . . 0.0 109.746 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 51' ' ' LEU . 44.1 tp -62.16 -41.57 98.43 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.478 -0.764 . . . . 0.0 109.196 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -62.5 -36.73 83.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 0.0 109.636 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.73 -47.12 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 109.705 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 1.7 mp0 -64.27 -38.68 91.92 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.037 -1.04 . . . . 0.0 108.806 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -62.56 -49.07 76.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.539 -0.726 . . . . 0.0 109.432 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -68.15 -43.87 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.519 -0.738 . . . . 0.0 109.472 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -60.63 -43.63 97.29 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' B' ' 15' ' ' SER . 88.1 mt -84.58 -4.14 58.82 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.423 ' C ' ' O ' ' B' ' 14' ' ' LEU . 34.8 t 38.19 74.78 0.08 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.802 -0.561 . . . . 0.0 110.376 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -101.61 134.21 45.1 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.282 -0.886 . . . . 0.0 109.53 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -70.72 136.45 48.97 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.637 0.732 . . . . 0.0 110.364 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.04 -37.07 84.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.704 -0.623 . . . . 0.0 109.722 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.75 -46.01 91.45 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.337 -0.852 . . . . 0.0 109.771 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.7 t -62.64 -44.65 95.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -0.931 . . . . 0.0 109.858 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -64.34 -22.7 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.374 -0.829 . . . . 0.0 109.952 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.34 -30.86 27.14 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.006 -1.059 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -68.46 -45.11 73.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.199 -0.938 . . . . 0.0 109.568 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.542 ' OE2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -70.4 -44.44 67.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.285 -0.884 . . . . 0.0 109.659 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 80.5 mtp -68.29 -36.28 79.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 109.49 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.86 21.1 48.04 Favored Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 pt -117.27 -174.44 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.505 -0.997 . . . . 0.0 109.359 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -96.6 165.0 12.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.483 -0.761 . . . . 0.0 110.286 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -63.95 -37.13 86.29 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.419 0.628 . . . . 0.0 109.367 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -57.37 -43.99 84.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.403 -0.811 . . . . 0.0 109.331 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -65.54 -43.71 89.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 0.0 109.066 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.612 HD11 ' CE2' ' A' ' 47' ' ' TYR . 41.9 tp -64.74 -42.18 95.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.856 . . . . 0.0 109.173 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.62 -33.23 75.16 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.438 -0.789 . . . . 0.0 109.882 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.72 -41.05 94.51 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.17 -0.956 . . . . 0.0 109.569 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 66.4 mt -63.91 -43.71 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.374 -0.829 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' B' ' 38' ' ' SER . 0.6 OUTLIER -64.19 -30.3 71.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.459 -0.775 . . . . 0.0 109.795 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -73.37 31.84 0.07 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.07 -1.019 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.527 ' H ' ' C ' ' B' ' 36' ' ' GLU . 2.0 m 57.83 81.19 0.15 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.629 -0.67 . . . . 0.0 111.034 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' B' ' 40' ' ' THR . 4.3 tm-20 -100.5 -14.45 18.24 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' B' ' 39' ' ' GLU . 0.7 OUTLIER 80.74 170.02 0.14 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.215 0.531 . . . . 0.0 110.092 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.77 148.47 39.99 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.524 -0.735 . . . . 0.0 109.895 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.18 160.93 41.7 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.893 2.395 . . . . 0.0 112.611 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 m -65.21 -19.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.388 -0.82 . . . . 0.0 109.714 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.07 -42.42 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.263 -0.898 . . . . 0.0 108.666 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -43.43 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.37 -0.831 . . . . 0.0 108.878 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -62.36 -37.01 84.02 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.193 -0.942 . . . . 0.0 109.806 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.463 ' CE1' HD23 ' A' ' 7' ' ' LEU . 57.9 t80 -60.29 -52.51 64.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.048 -1.033 . . . . 0.0 110.338 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.0 pt -63.86 -27.46 42.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.086 -1.009 . . . . 0.0 108.49 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.22 93.36 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.12 -45.04 91.95 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 13.0 mt -62.99 -38.2 90.22 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -62.48 -21.07 65.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.269 -0.894 . . . . 0.0 109.056 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 63.4 p -58.44 -33.25 69.5 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.159 -0.963 . . . . 0.0 108.453 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -91.54 -0.31 57.59 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.74 29.38 35.46 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' B' ' 58' ' ' LEU . 83.4 t -63.38 123.79 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.952 -1.322 . . . . 0.0 109.117 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.08 68.28 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.528 -0.733 . . . . 0.0 110.426 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.7 tp -65.53 -38.47 89.74 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 59' ' ' ASN . 0.4 OUTLIER -45.8 -40.68 9.98 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.532 -0.73 . . . . 0.0 109.287 -179.364 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.11 83.11 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.501 -0.749 . . . . 0.0 109.93 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 98.2 mt -63.07 -43.64 98.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.346 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.61 -40.91 84.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.396 -0.815 . . . . 0.0 109.7 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -66.53 -19.21 65.73 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.3 -0.875 . . . . 0.0 109.639 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.436 ' O ' HG13 ' B' ' 67' ' ' VAL . 41.7 mmm-85 -89.68 -23.07 21.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.202 -0.936 . . . . 0.0 109.866 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.441 ' CD1' HD21 ' A' ' 3' ' ' LEU . 97.9 mt -82.59 -21.36 9.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.136 -0.977 . . . . 0.0 110.46 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.432 ' O ' ' O ' ' B' ' 67' ' ' VAL . 36.9 pt -77.08 -9.04 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.028 -1.045 . . . . 0.0 109.814 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.436 HG13 ' O ' ' B' ' 64' ' ' ARG . 31.0 m -43.28 166.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.323 -0.861 . . . . 0.0 110.463 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.27 147.99 15.6 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.551 0.691 . . . . 0.0 110.624 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 89.0 tttt 57.48 101.35 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.723 0.773 . . . . 0.0 110.101 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.533 ' O ' ' ND1' ' B' ' 72' ' ' HIS . 83.7 mt -85.91 -7.26 58.81 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 60.19 -0.27 0.25 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' B' ' 70' ' ' LEU . 1.1 m80 -82.35 141.66 32.65 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.052 -1.03 . . . . 0.0 110.057 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -155.02 177.05 11.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.331 -0.856 . . . . 0.0 108.792 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' B' ' 74' ' ' HIS . 12.6 p-80 -53.23 126.14 19.95 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.182 -0.949 . . . . 0.0 110.117 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.699 ' HE2' ' CE1' ' B' ' 77' ' ' HIS . 13.8 t60 -160.9 167.03 27.45 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.443 -0.786 . . . . 0.0 109.178 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.614 ' N ' ' CG ' ' B' ' 75' ' ' HIS . 0.2 OUTLIER -166.14 100.64 0.63 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.571 -0.706 . . . . 0.0 109.139 179.296 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.699 ' CE1' ' HE2' ' B' ' 75' ' ' HIS . 74.3 m-70 . . . . . 0 N--CA 1.499 1.982 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.442 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.442 0.639 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -83.9 171.63 12.86 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.338 -0.852 . . . . 0.0 110.503 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.4 -39.87 95.68 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.499 -0.75 . . . . 0.0 110.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 p -57.97 -41.04 82.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.026 -1.046 . . . . 0.0 110.292 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.504 ' C ' HD22 ' A' ' 5' ' ' ASN . 0.1 OUTLIER -64.57 -46.9 80.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.029 -1.044 . . . . 0.0 109.835 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.23 -37.16 77.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.86 . . . . 0.0 109.168 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.6 tp -63.39 -41.91 98.78 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.309 -0.869 . . . . 0.0 109.391 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.5 -41.66 98.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.325 -0.859 . . . . 0.0 109.961 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.08 -44.45 98.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.231 -0.918 . . . . 0.0 109.79 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -58.74 -41.77 87.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.065 -1.022 . . . . 0.0 109.57 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.566 HH22 ' CD ' ' A' ' 36' ' ' GLU . 36.7 ttm180 -56.58 -46.58 80.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 0.0 108.723 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.16 -42.72 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.655 -0.653 . . . . 0.0 109.412 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.1 ttm-85 -55.39 -44.97 76.62 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 0.0 110.011 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -102.78 2.51 35.68 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.367 -0.833 . . . . 0.0 108.874 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 11' ' ' ARG . 16.2 m 42.19 82.66 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.691 HD11 ' HZ2' ' B' ' 54' ' ' LYS . 8.3 mp -106.17 153.43 22.12 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-O 121.597 0.713 . . . . 0.0 109.804 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.9 p -112.35 144.16 42.24 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 121.459 0.647 . . . . 0.0 109.81 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.42 87.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.463 -0.773 . . . . 0.0 109.633 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -63.4 -44.31 95.05 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.003 -1.06 . . . . 0.0 109.816 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -62.18 -47.39 84.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.185 -0.947 . . . . 0.0 109.929 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.04 -43.76 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.492 -0.755 . . . . 0.0 109.925 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.77 95.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.401 -0.812 . . . . 0.0 110.499 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -68.24 -40.29 82.05 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.008 -1.058 . . . . 0.0 109.464 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -72.97 -43.31 62.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -0.918 . . . . 0.0 109.943 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 76.9 mmm -64.84 -39.15 93.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.497 -0.752 . . . . 0.0 109.966 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.83 23.13 14.06 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -124.73 162.85 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.225 0 O-C-N 121.44 -1.035 . . . . 0.0 109.928 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.4 p -79.07 166.29 22.46 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 110.008 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' H ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -63.48 -35.66 81.17 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.466 -0.771 . . . . 0.0 108.935 179.411 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -55.64 -45.47 77.6 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.262 -0.899 . . . . 0.0 109.459 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -64.01 -43.25 96.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.347 -0.846 . . . . 0.0 109.071 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -63.49 -39.84 95.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.422 -0.799 . . . . 0.0 108.977 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.41 74.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.53 -0.731 . . . . 0.0 109.82 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -61.89 -41.07 97.46 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.317 -0.864 . . . . 0.0 109.139 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.1 -44.33 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.194 -0.941 . . . . 0.0 109.313 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.566 ' CD ' HH22 ' A' ' 11' ' ' ARG . 69.8 tt0 -69.48 -13.01 62.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.207 -0.933 . . . . 0.0 108.552 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -72.02 38.37 0.07 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.861 -1.149 . . . . 0.0 109.381 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' GLU . 47.1 t 48.45 -105.42 0.15 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.451 -0.781 . . . . 0.0 110.887 179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 38' ' ' SER . 64.3 mm-40 59.17 142.72 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.879 0.847 . . . . 0.0 110.086 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.2 p -62.56 139.55 58.62 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.59 0.71 . . . . 0.0 110.069 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.79 152.32 93.29 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.533 -0.73 . . . . 0.0 110.024 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.53 154.79 72.15 Favored 'Trans proline' 0 N--CA 1.502 1.996 0 C-N-CA 123.023 2.482 . . . . 0.0 113.183 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.7 m -64.36 -23.44 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 110.125 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 3.1 m -58.64 -40.43 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.904 -1.123 . . . . 0.0 108.975 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 51.7 t -63.06 -44.26 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.409 -0.807 . . . . 0.0 109.212 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -61.62 -41.23 97.18 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.377 -0.827 . . . . 0.0 108.807 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.96 -44.29 94.54 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.308 -0.87 . . . . 0.0 108.813 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.81 -42.84 97.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.425 -0.797 . . . . 0.0 109.038 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.68 68.15 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.21 -0.931 . . . . 0.0 109.587 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 6.3 t80 -62.32 -45.7 92.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 108.97 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.69 -36.71 81.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.245 -0.91 . . . . 0.0 109.281 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.81 -40.57 88.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.6 m -55.17 -30.42 59.84 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.321 -0.862 . . . . 0.0 109.538 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 14.6 mptt -83.13 2.6 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.279 -0.888 . . . . 0.0 109.014 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.09 24.78 60.9 Favored Glycine 0 N--CA 1.492 2.404 0 C-N-CA 120.217 -0.992 . . . . 0.0 110.64 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.66 135.33 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.788 -1.419 . . . . 0.0 109.835 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 57' ' ' ASP . 1.2 p30 -76.85 93.71 3.78 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.155 -0.966 . . . . 0.0 110.075 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.25 -12.83 51.59 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 32.9 p-10 -63.44 -45.61 90.09 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.376 -0.828 . . . . 0.0 110.116 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -70.72 -40.63 72.7 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.123 -0.986 . . . . 0.0 110.249 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 61' ' ' LEU . 3.9 tt -62.36 -48.39 80.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.908 . . . . 0.0 109.816 -178.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -70.18 -35.59 74.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.36 -0.838 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.6 -48.53 80.65 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.951 -1.093 . . . . 0.0 111.645 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -62.61 -41.95 99.29 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.595 -1.316 . . . . 0.0 110.153 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.57 -43.46 98.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.115 -0.991 . . . . 0.0 110.157 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.79 -72.7 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.017 -1.052 . . . . 0.0 110.796 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 67' ' ' VAL . 3.5 m -76.2 129.64 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.161 -0.962 . . . . 0.0 111.166 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -100.28 -17.88 17.09 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 46.6 tttp -69.06 167.69 15.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.643 -0.661 . . . . 0.0 110.219 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' LYS . 2.8 tp 80.24 38.67 0.09 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -130.7 -163.68 1.34 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.518 -0.738 . . . . 0.0 109.776 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -40.8 -79.72 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.504 -0.747 . . . . 0.0 110.855 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 73' ' ' HIS . 43.0 t-80 -172.96 53.52 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m170 46.36 -162.37 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.364 -0.835 . . . . 0.0 109.848 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -133.54 134.76 43.79 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 121.6 0.714 . . . . 0.0 109.465 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.455 ' O ' ' OXT' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -84.01 159.86 21.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.57 -0.706 . . . . 0.0 109.461 -179.52 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.455 ' OXT' ' O ' ' A' ' 76' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.885 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.563 ' SD ' ' ND2' ' B' ' 5' ' ' ASN . 65.3 mtt . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.342 0.592 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 28.0 tt0 -78.72 165.05 24.04 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.401 -0.812 . . . . 0.0 110.176 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.407 ' N ' ' CG ' ' B' ' 2' ' ' GLU . 47.7 tp -60.3 -44.7 95.18 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.455 -0.778 . . . . 0.0 110.293 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 9.9 t -61.29 -34.61 75.49 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.563 ' ND2' ' SD ' ' B' ' 1' ' ' MET . 9.8 t30 -61.45 -43.86 98.13 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.222 -0.924 . . . . 0.0 111.387 -178.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' B' ' 2' ' ' GLU . 26.1 mp0 -69.77 -43.24 72.57 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.712 -1.243 . . . . 0.0 110.254 -179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.96 -39.71 93.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.958 -1.089 . . . . 0.0 109.032 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.95 -45.11 95.09 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.104 -0.998 . . . . 0.0 109.794 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.0 -45.88 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.099 -1.0 . . . . 0.0 110.23 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.619 ' CD ' HH21 ' B' ' 13' ' ' ARG . 74.4 mm-40 -62.58 -37.6 86.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.082 -1.011 . . . . 0.0 109.308 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' B' ' 15' ' ' SER . 8.9 ttt180 -60.69 -42.71 97.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.83 -44.49 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.486 -0.759 . . . . 0.0 109.519 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.619 HH21 ' CD ' ' B' ' 10' ' ' GLU . 56.3 mtm180 -65.13 -40.46 94.49 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.255 -0.903 . . . . 0.0 109.415 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 15' ' ' SER . 86.3 mt -89.59 -5.8 56.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.564 ' N ' ' O ' ' B' ' 11' ' ' ARG . 60.1 p 38.97 61.13 1.31 Allowed 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.145 0.498 . . . . 0.0 109.859 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.8 mt -104.32 125.25 50.4 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.486 -0.758 . . . . 0.0 109.526 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 p -87.64 162.91 16.86 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.353 -0.842 . . . . 0.0 110.528 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.98 81.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.688 -0.632 . . . . 0.0 109.506 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.97 -44.87 95.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.347 -0.846 . . . . 0.0 110.068 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.9 t -61.63 -48.03 82.72 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.154 -0.966 . . . . 0.0 110.221 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.07 -43.91 97.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.316 -0.865 . . . . 0.0 109.254 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.7 -30.28 70.65 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.352 -0.842 . . . . 0.0 109.792 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.054 -1.029 . . . . 0.0 108.876 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.23 -46.65 17.42 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 109.534 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -65.0 -39.58 93.67 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.596 -0.69 . . . . 0.0 109.485 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.43 31.84 26.67 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.61 168.21 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.465 -1.021 . . . . 0.0 109.863 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -68.98 152.77 44.85 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.377 -0.827 . . . . 0.0 110.111 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -63.96 -39.23 93.67 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.84 -40.43 91.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.505 -0.747 . . . . 0.0 109.77 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -58.36 -41.98 85.91 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.266 -0.896 . . . . 0.0 109.391 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tp -63.2 -41.52 99.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.195 -0.941 . . . . 0.0 108.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 93.1 m -61.44 -33.68 74.13 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.37 -0.831 . . . . 0.0 109.182 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -62.65 -38.54 90.7 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.422 -0.799 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.59 -44.15 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.188 -0.945 . . . . 0.0 108.936 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.52 -30.61 64.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.351 -0.843 . . . . 0.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -93.81 12.57 25.33 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.226 -0.921 . . . . 0.0 109.565 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 p -68.77 155.4 40.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -0.908 . . . . 0.0 110.481 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.28 -37.47 77.89 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.518 -0.739 . . . . 0.0 109.908 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.606 HG22 ' N ' ' B' ' 41' ' ' ALA . 86.0 m -166.52 166.9 16.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.988 -1.07 . . . . 0.0 109.577 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.606 ' N ' HG22 ' B' ' 40' ' ' THR . . . -84.8 153.33 60.68 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 109.407 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -63.95 155.32 64.94 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 122.775 2.317 . . . . 0.0 112.793 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.7 m -63.21 -27.14 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.408 -0.808 . . . . 0.0 110.382 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.434 HG13 ' N ' ' B' ' 45' ' ' VAL . 9.7 p -53.98 -37.11 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.065 -1.022 . . . . 0.0 109.103 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.434 ' N ' HG13 ' B' ' 44' ' ' VAL . 69.4 t -64.08 -44.33 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.338 -0.851 . . . . 0.0 108.952 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.35 -38.03 87.96 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.398 -0.814 . . . . 0.0 109.302 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -59.15 -48.56 81.18 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.0 108.796 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.15 -42.06 94.37 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.43 -37.28 67.47 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.436 -0.79 . . . . 0.0 109.027 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.57 -45.1 95.18 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.4 -41.44 98.76 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.604 -0.685 . . . . 0.0 109.316 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.44 HH21 ' HA2' ' B' ' 55' ' ' GLY . 0.8 OUTLIER -66.92 -25.88 66.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.046 -1.034 . . . . 0.0 109.087 179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -63.91 -23.16 67.24 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.057 -1.027 . . . . 0.0 109.146 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.691 ' HZ2' HD11 ' A' ' 16' ' ' LEU . 98.3 mttt -93.77 2.11 56.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.028 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . 0.44 ' HA2' HH21 ' B' ' 52' ' ' ARG . . . 86.02 25.92 36.0 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 74.9 t -68.6 129.99 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.787 -1.419 . . . . 0.0 109.089 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -58.25 100.15 0.06 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.411 -0.805 . . . . 0.0 111.07 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -15.88 28.19 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.567 ' OD1' ' N ' ' B' ' 60' ' ' ALA . 31.9 p30 -66.03 -39.78 90.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.274 -0.891 . . . . 0.0 110.498 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.567 ' N ' ' OD1' ' B' ' 59' ' ' ASN . . . -83.36 -31.58 26.69 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.129 -0.982 . . . . 0.0 109.833 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.7 -44.08 97.16 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.111 -0.993 . . . . 0.0 109.714 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.84 -33.14 24.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.356 -0.84 . . . . 0.0 110.967 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.56 -42.7 99.23 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.864 -1.148 . . . . 0.0 110.377 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -62.12 -40.88 97.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.16 -0.963 . . . . 0.0 109.715 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.03 -43.45 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 0.0 110.197 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.458 ' O ' ' O ' ' B' ' 67' ' ' VAL . 72.6 mt -68.27 -99.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.926 -1.109 . . . . 0.0 110.052 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' B' ' 66' ' ' ILE . 10.4 t 56.62 121.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 CA-C-O 121.633 0.73 . . . . 0.0 110.433 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -82.21 -154.52 0.13 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 110.28 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.84 98.99 8.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.474 -0.766 . . . . 0.0 109.992 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.457 ' C ' HD23 ' B' ' 70' ' ' LEU . 2.3 tt -132.27 -65.88 0.72 Allowed 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.517 ' O ' ' ND1' ' B' ' 72' ' ' HIS . 11.2 pt-20 -107.82 48.18 0.86 Allowed 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' B' ' 71' ' ' GLU . 0.7 OUTLIER -149.47 171.68 16.2 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 122.051 0.929 . . . . 0.0 109.903 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' B' ' 73' ' ' HIS . 0.3 OUTLIER -157.42 60.02 0.5 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 25.3 m80 47.68 -115.37 0.66 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.667 -0.646 . . . . 0.0 110.09 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.452 ' ND1' ' C ' ' B' ' 75' ' ' HIS . 0.3 OUTLIER -137.39 -97.22 0.2 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.363 -0.836 . . . . 0.0 108.846 -179.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' B' ' 75' ' ' HIS . 0.0 OUTLIER -155.13 23.9 0.43 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.062 -1.024 . . . . 0.0 108.65 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 73.3 m80 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.064 179.57 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 2' ' ' GLU . 3.8 tpt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' MET . 59.9 tt0 60.24 122.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.802 0.81 . . . . 0.0 109.673 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.71 -41.97 98.02 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.669 0.747 . . . . 0.0 110.27 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.4 m -60.21 -40.38 89.92 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.627 0.727 . . . . 0.0 110.338 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.86 -41.27 99.31 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.459 -0.776 . . . . 0.0 110.382 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.492 ' OE1' HD11 ' B' ' 61' ' ' LEU . 35.0 mt-10 -66.8 -35.87 81.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.333 -0.855 . . . . 0.0 109.938 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -61.74 -43.27 99.17 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.33 -0.856 . . . . 0.0 110.052 -179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.99 -40.25 87.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.742 . . . . 0.0 109.764 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.55 -44.76 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.445 -0.784 . . . . 0.0 109.885 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' OE2' ' NH2' ' A' ' 13' ' ' ARG . 46.8 mm-40 -60.77 -42.05 96.71 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.276 -0.89 . . . . 0.0 109.13 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' NH2' ' OE2' ' A' ' 36' ' ' GLU . 3.1 tpp85 -63.99 -47.93 78.42 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.681 0.753 . . . . 0.0 110.162 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.26 -43.19 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.555 0.693 . . . . 0.0 109.755 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 54.3 ttp180 -61.63 -41.17 97.12 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.738 0.78 . . . . 0.0 109.002 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 HG22 ' B' ' 56' ' ' VAL . 44.5 mt -85.36 -6.49 59.23 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.808 0.813 . . . . 0.0 108.853 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t 42.1 70.65 0.26 Allowed 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.719 0.771 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.1 mt -107.49 135.32 49.16 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 121.673 0.749 . . . . 0.0 110.026 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -80.05 147.91 31.29 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.79 0.805 . . . . 0.0 109.954 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.2 -36.31 66.51 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.596 0.712 . . . . 0.0 109.589 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -61.21 -47.61 85.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.631 -0.668 . . . . 0.0 109.972 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -63.97 -47.61 79.72 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.476 0.655 . . . . 0.0 109.902 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.18 -43.95 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.69 0.757 . . . . 0.0 109.796 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.41 77.07 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.559 0.695 . . . . 0.0 109.525 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -65.05 -46.56 80.74 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.651 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.88 55.77 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.091 -1.005 . . . . 0.0 109.538 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 84.2 mmm -65.42 -40.45 93.35 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 121.66 0.743 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.42 30.26 11.06 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.5 pt -129.94 167.56 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.493 -1.004 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -74.23 158.14 34.62 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.98 0.895 . . . . 0.0 110.306 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -64.24 -35.7 81.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -64.87 -39.9 94.28 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 121.558 0.694 . . . . 0.0 109.278 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -58.24 -44.34 88.21 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.47 -0.769 . . . . 0.0 109.006 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.16 -43.81 94.05 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 121.755 0.788 . . . . 0.0 109.115 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -34.48 78.2 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-O 121.871 0.843 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.05 -36.53 84.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.635 0.731 . . . . 0.0 109.127 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.13 -42.77 97.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.534 -0.729 . . . . 0.0 109.237 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' OE2' ' NH2' ' A' ' 11' ' ' ARG . 82.9 mt-10 -61.55 -35.21 77.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.411 -0.806 . . . . 0.0 109.715 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.63 3.58 47.18 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.307 -0.871 . . . . 0.0 109.385 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.4 t -66.08 144.25 56.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.393 -0.817 . . . . 0.0 110.458 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.5 -93.22 0.14 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.63 0.728 . . . . 0.0 109.648 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 41' ' ' ALA . 67.0 m -81.59 164.12 22.12 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.673 0.749 . . . . 0.0 110.38 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.558 ' N ' HG22 ' A' ' 40' ' ' THR . . . -91.07 158.68 41.21 Favored Pre-proline 0 N--CA 1.492 1.67 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.37 160.82 47.43 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.608 2.205 . . . . 0.0 112.834 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.76 -21.29 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 CA-C-O 121.458 0.646 . . . . 0.0 109.549 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.61 -44.92 99.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.453 -0.779 . . . . 0.0 109.402 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.94 -41.79 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.606 -0.684 . . . . 0.0 109.433 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.06 -43.0 99.54 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.52 -0.737 . . . . 0.0 109.686 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.471 ' CE2' HD11 ' B' ' 32' ' ' LEU . 49.1 t80 -62.53 -42.9 99.82 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.117 0.961 . . . . 0.0 109.006 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.26 -42.31 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.03 -33.91 71.29 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CE2' ' NZ ' ' A' ' 54' ' ' LYS . 11.9 t80 -60.8 -47.32 86.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.269 -0.894 . . . . 0.0 108.724 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -65.85 -38.34 88.58 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.82 0.819 . . . . 0.0 109.253 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HE ' ' CD1' ' A' ' 58' ' ' LEU . 9.8 tpp85 -61.58 -45.48 93.92 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.566 0.698 . . . . 0.0 110.784 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.3 t -57.05 -16.73 7.89 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.485 -0.759 . . . . 0.0 110.25 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.556 ' NZ ' ' CE2' ' A' ' 50' ' ' PHE . 62.3 mttp -99.79 11.4 39.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.161 -0.962 . . . . 0.0 109.358 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.24 34.38 85.54 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.42 -20.97 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.972 -1.31 . . . . 0.0 109.29 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.14 103.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.839 0.828 . . . . 0.0 110.253 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.525 ' CD1' ' HE ' ' A' ' 52' ' ' ARG . 15.2 mt -91.57 -2.42 57.14 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -60.95 -44.69 96.91 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.473 -0.767 . . . . 0.0 109.597 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.48 67.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.462 -0.774 . . . . 0.0 109.879 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 61' ' ' LEU . 2.2 tt -62.1 -55.32 30.16 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.392 -0.817 . . . . 0.0 110.453 -178.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -70.23 -37.27 74.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.455 -0.778 . . . . 0.0 110.435 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -55.21 -34.19 63.72 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -62.54 -50.57 70.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.351 -0.843 . . . . 0.0 110.174 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.54 -42.69 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.331 -0.856 . . . . 0.0 109.959 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.34 127.1 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.285 -0.884 . . . . 0.0 110.037 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.2 m -95.08 -11.01 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 CA-C-O 121.471 0.653 . . . . 0.0 109.44 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.528 ' OD1' ' C ' ' A' ' 68' ' ' ASN . 0.3 OUTLIER -59.12 -44.66 92.01 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.265 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' A' ' 68' ' ' ASN . 88.7 tttt 53.51 116.47 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.369 1.081 . . . . 0.0 110.646 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.665 HD11 HH21 ' B' ' 52' ' ' ARG . 99.6 mt -63.38 -37.37 87.02 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.411 -0.806 . . . . 0.0 109.508 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 65.96 -4.48 0.63 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.643 0.735 . . . . 0.0 109.466 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.494 ' H ' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -79.05 143.39 35.66 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.394 -0.816 . . . . 0.0 109.152 179.579 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.469 ' C ' ' ND1' ' A' ' 73' ' ' HIS . 5.0 p80 -157.81 165.29 35.7 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.63 -0.669 . . . . 0.0 109.385 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -113.63 113.68 25.37 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' ' ND1' ' A' ' 76' ' ' HIS . 28.0 m170 39.9 -140.0 0.07 Allowed 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.355 0.598 . . . . 0.0 110.349 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 75' ' ' HIS . 6.4 m-70 -134.14 159.27 41.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.614 -0.679 . . . . 0.0 109.199 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.613 ' ND1' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.624 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.632 0.729 . . . . 0.0 109.139 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -77.31 171.5 14.76 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 122.028 0.918 . . . . 0.0 110.489 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 mt -63.15 -41.79 99.34 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.447 0.641 . . . . 0.0 109.944 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 77.6 p -62.75 -43.77 97.95 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.52 -0.737 . . . . 0.0 109.862 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.439 ' O ' HG23 ' B' ' 9' ' ' VAL . 8.9 t30 -72.75 -46.54 52.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.46 -0.775 . . . . 0.0 110.341 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.456 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 2.4 tt0 -66.88 -43.13 84.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.41 -0.806 . . . . 0.0 110.425 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.61 -42.29 98.67 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.626 0.727 . . . . 0.0 109.845 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -64.26 -40.14 95.39 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.397 -0.814 . . . . 0.0 109.605 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 5' ' ' ASN . 45.6 t -59.61 -44.03 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.607 -0.683 . . . . 0.0 109.875 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 4.1 mp0 -63.31 -35.82 81.63 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.219 -0.926 . . . . 0.0 109.708 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' B' ' 15' ' ' SER . 9.7 ttm180 -59.66 -42.13 92.13 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.25 -0.907 . . . . 0.0 109.599 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.84 -42.03 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.423 -0.798 . . . . 0.0 109.001 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -51.13 -44.55 61.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.927 . . . . 0.0 108.634 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 mt -98.91 0.39 43.99 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.475 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.3 m 39.2 79.66 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.495 0.664 . . . . 0.0 110.519 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -109.11 133.31 53.17 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.721 0.772 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p -84.96 153.29 22.89 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.854 0.835 . . . . 0.0 110.014 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.2 -36.99 80.43 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.727 0.775 . . . . 0.0 109.612 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.01 -41.98 99.72 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.467 0.651 . . . . 0.0 109.488 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 72.3 m -60.49 -47.14 87.45 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 109.357 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 97.1 t -64.81 -44.73 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.379 -0.826 . . . . 0.0 109.826 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' B' ' 27' ' ' ILE . . . -65.07 -24.72 67.54 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.537 -0.727 . . . . 0.0 109.371 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -66.65 -44.71 81.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.433 -0.792 . . . . 0.0 109.505 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.7 -55.31 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.784 0.802 . . . . 0.0 110.105 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mtp -65.3 -40.45 93.81 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-O 121.591 0.71 . . . . 0.0 109.709 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.91 46.79 5.55 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.445 ' O ' ' HB1' ' B' ' 22' ' ' ALA . 34.7 pt -123.26 162.82 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.621 -0.929 . . . . 0.0 109.994 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t -67.54 150.06 49.32 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 122.108 0.956 . . . . 0.0 110.296 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 26.1 mtm-85 -63.54 -37.23 86.54 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 121.667 0.746 . . . . 0.0 109.265 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -64.53 -37.27 86.96 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.699 0.762 . . . . 0.0 109.063 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.1 -39.93 87.88 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.645 0.736 . . . . 0.0 109.024 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.471 HD11 ' CE2' ' A' ' 47' ' ' TYR . 13.9 tp -63.72 -41.2 98.11 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.789 0.804 . . . . 0.0 109.62 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 89.4 m -63.77 -34.87 78.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.582 -0.699 . . . . 0.0 109.578 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.87 -40.39 95.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.428 -0.795 . . . . 0.0 109.18 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.7 -43.37 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.472 -0.768 . . . . 0.0 109.406 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.421 ' CD ' HH21 ' B' ' 11' ' ' ARG . 28.5 tp10 -68.19 -30.98 70.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.602 -0.687 . . . . 0.0 109.749 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -85.19 0.28 52.29 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.289 -0.882 . . . . 0.0 109.655 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 56.4 m -88.09 117.6 27.08 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.24 -0.913 . . . . 0.0 109.905 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -95.34 -9.78 31.96 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 41.2 p -106.84 135.72 47.91 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.418 -0.801 . . . . 0.0 109.771 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.96 150.01 39.86 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.886 -0.509 . . . . 0.0 109.921 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.85 160.11 50.43 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 123.081 2.521 . . . . 0.0 113.216 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 28.2 m -64.46 -32.86 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.392 0.615 . . . . 0.0 110.277 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.81 -48.34 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.304 -0.873 . . . . 0.0 109.929 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.2 -43.5 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.402 -0.811 . . . . 0.0 109.559 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -62.07 -39.57 92.87 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.715 0.769 . . . . 0.0 109.209 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.418 ' OH ' ' NE ' ' A' ' 11' ' ' ARG . 68.8 t80 -62.09 -42.02 98.79 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.76 0.791 . . . . 0.0 109.438 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.27 -42.96 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 121.84 0.828 . . . . 0.0 108.901 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.12 74.21 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.616 0.722 . . . . 0.0 109.578 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -62.19 -40.6 96.57 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.66 -40.76 88.81 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.269 -0.894 . . . . 0.0 108.637 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.665 HH21 HD11 ' A' ' 70' ' ' LEU . 11.3 tpt180 -60.7 -35.79 77.17 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.275 -0.891 . . . . 0.0 108.751 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -56.06 -21.49 22.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 108.84 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -99.39 -3.73 33.17 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.82 38.17 24.26 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.466 HG22 HD11 ' A' ' 14' ' ' LEU . 49.1 t -71.37 -19.71 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.266 -1.138 . . . . 0.0 109.217 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 58.28 67.47 0.94 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.445 0.641 . . . . 0.0 109.962 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 5.94 11.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.192 -0.943 . . . . 0.0 109.062 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -62.04 -42.17 98.9 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.874 0.845 . . . . 0.0 108.985 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.714 ' HB1' HH21 ' B' ' 64' ' ' ARG . . . -79.31 -22.09 45.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.551 -0.718 . . . . 0.0 109.376 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.492 HD11 ' OE1' ' A' ' 6' ' ' GLU . 55.9 tp -63.59 -49.42 73.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.497 -0.752 . . . . 0.0 109.895 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -72.17 -42.94 65.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.454 -0.779 . . . . 0.0 109.385 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.01 -19.24 51.52 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 108.399 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.714 HH21 ' HB1' ' B' ' 60' ' ' ALA . 4.1 tpp85 -66.45 -42.33 87.78 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.838 0.828 . . . . 0.0 109.086 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' B' ' 66' ' ' ILE . 96.3 mt -87.46 -48.03 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 -178.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' B' ' 65' ' ' ILE . 96.5 mt -39.67 123.82 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 CA-C-O 122.027 0.918 . . . . 0.0 110.841 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.409 ' O ' ' CG ' ' B' ' 68' ' ' ASN . 27.4 m -71.1 170.77 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 CA-C-O 122.062 0.934 . . . . 0.0 111.269 -178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.53 HD22 ' C ' ' B' ' 68' ' ' ASN . 0.1 OUTLIER 58.01 136.13 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.021 0.915 . . . . 0.0 111.327 179.811 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -90.61 116.32 28.41 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.672 0.749 . . . . 0.0 109.824 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.29 145.92 43.59 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.755 0.788 . . . . 0.0 110.318 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -55.82 116.06 2.73 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.694 0.759 . . . . 0.0 109.113 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -158.48 89.11 0.95 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.452 -0.78 . . . . 0.0 109.458 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.56 -167.8 2.62 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.55 0.691 . . . . 0.0 109.611 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.451 ' N ' ' CD2' ' B' ' 74' ' ' HIS . 0.3 OUTLIER -171.87 81.37 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.609 0.719 . . . . 0.0 109.502 179.581 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' B' ' 77' ' ' HIS . 21.5 t-160 44.49 90.86 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.804 0.812 . . . . 0.0 110.064 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -42.01 92.28 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.643 0.735 . . . . 0.0 110.336 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 75' ' ' HIS . 3.7 t-80 . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 118.12 -0.943 . . . . 0.0 108.804 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 tpp . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -84.37 -171.1 3.43 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.521 0.677 . . . . 0.0 109.99 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -61.28 -51.71 67.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.514 -0.741 . . . . 0.0 110.25 -178.55 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -68.35 -32.69 72.97 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.488 -0.757 . . . . 0.0 109.784 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -63.39 -42.97 98.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.677 -0.639 . . . . 0.0 110.211 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 10' ' ' GLU . 40.5 mt-10 -66.11 -38.54 88.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' B' ' 51' ' ' LEU . 37.2 tp -62.96 -40.96 99.29 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 121.456 0.646 . . . . 0.0 109.808 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -63.96 -37.54 87.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.481 -0.762 . . . . 0.0 109.638 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.36 -44.99 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.749 -0.595 . . . . 0.0 109.68 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 1.3 mp0 -67.14 -38.82 86.19 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.576 -0.702 . . . . 0.0 109.19 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 36' ' ' GLU . 62.1 ttp180 -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.58 -41.95 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.508 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 13' ' ' ARG . 14.9 ttm180 -58.47 -43.77 89.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.51 -0.744 . . . . 0.0 109.341 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' SER . 97.6 mt -92.05 -3.61 55.55 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' LEU . 32.3 t 39.82 70.6 0.22 Allowed 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.79 0.805 . . . . 0.0 110.163 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -103.75 134.9 46.29 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.822 0.82 . . . . 0.0 110.227 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -74.81 138.49 42.63 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 122.015 0.912 . . . . 0.0 109.895 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.74 -37.29 87.1 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.381 0.61 . . . . 0.0 109.536 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' H ' HH21 ' A' ' 29' ' ' ARG . 88.2 tttt -62.76 -43.49 98.66 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 121.325 0.583 . . . . 0.0 109.726 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -60.23 -50.26 74.36 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.539 -0.725 . . . . 0.0 110.148 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.53 -42.71 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.26 -0.9 . . . . 0.0 109.686 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.38 85.56 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.638 -0.664 . . . . 0.0 110.284 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -67.85 -39.14 83.85 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.544 -0.722 . . . . 0.0 109.765 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -67.22 -41.71 85.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.444 -0.785 . . . . 0.0 109.692 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mtp -66.14 -37.83 86.65 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.728 -0.608 . . . . 0.0 109.541 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.12 12.62 15.2 Favored Glycine 0 N--CA 1.498 2.827 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.7 pt -126.21 165.37 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.655 -0.909 . . . . 0.0 110.038 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -87.49 171.09 10.79 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-O 121.818 0.818 . . . . 0.0 109.982 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.483 HH21 ' H ' ' A' ' 19' ' ' LYS . 62.6 mtt180 -62.17 -36.07 80.74 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 121.289 0.566 . . . . 0.0 109.702 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -46.37 -51.06 15.64 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.56 -0.712 . . . . 0.0 109.453 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -71.23 -37.03 72.04 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.533 0.682 . . . . 0.0 109.826 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.18 -43.32 99.1 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.594 0.711 . . . . 0.0 109.815 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -69.12 -36.03 77.07 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.492 0.663 . . . . 0.0 109.754 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -64.15 -38.62 91.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.759 -0.588 . . . . 0.0 109.758 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.6 mt -62.51 -43.18 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.583 -0.698 . . . . 0.0 109.761 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 19.3 tt0 -61.35 -35.31 77.07 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -81.39 19.47 0.98 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.561 ' O ' ' N ' ' A' ' 40' ' ' THR . 69.7 m -80.03 -5.6 56.1 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 53.47 -78.18 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.232 0.539 . . . . 0.0 110.41 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.561 ' N ' ' O ' ' A' ' 38' ' ' SER . 64.6 p -96.11 165.67 12.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.73 0.776 . . . . 0.0 109.964 -179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.43 161.36 34.75 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.753 -0.592 . . . . 0.0 109.684 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -73.01 150.18 48.13 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 122.43 2.086 . . . . 0.0 112.764 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.08 -20.64 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.577 -0.702 . . . . 0.0 109.371 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 t -64.65 -42.28 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.508 -0.745 . . . . 0.0 109.05 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.11 -45.1 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.43 -36.79 83.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.576 -0.703 . . . . 0.0 109.213 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.35 -53.55 56.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.632 -0.667 . . . . 0.0 109.686 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.1 pt -67.1 -28.53 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.363 -0.836 . . . . 0.0 109.126 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.49 -37.16 84.46 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' NZ ' ' A' ' 54' ' ' LYS . 73.6 t80 -61.68 -45.37 94.29 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -38.43 91.08 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -61.91 -40.73 96.47 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.676 -0.64 . . . . 0.0 109.363 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.6 p -62.46 -21.52 65.51 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.546 -0.721 . . . . 0.0 109.118 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' NZ ' ' CZ ' ' A' ' 50' ' ' PHE . 30.7 mmtp -84.17 6.73 21.39 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.99 13.14 78.25 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.7 t -67.79 134.0 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.311 -1.111 . . . . 0.0 109.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -70.1 79.6 0.5 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 122.059 0.933 . . . . 0.0 109.709 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.9 tp -92.33 -33.39 14.62 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' HB2' HH22 ' B' ' 52' ' ' ARG . 4.3 p30 -62.33 -47.06 85.93 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.561 -0.712 . . . . 0.0 109.989 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.69 74.97 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.499 0.666 . . . . 0.0 109.633 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.98 -44.55 91.61 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.695 -0.628 . . . . 0.0 109.552 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 65' ' ' ILE . 8.2 m-85 -73.13 -50.38 23.01 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.551 -0.718 . . . . 0.0 109.875 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -41.22 -37.52 0.95 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.771 -0.581 . . . . 0.0 110.915 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -82.37 -25.07 34.14 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.724 -1.235 . . . . 0.0 110.051 179.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' PHE . 5.0 mm -67.97 -42.71 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.638 -0.664 . . . . 0.0 109.588 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.9 pt -71.21 -10.99 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 CA-C-O 121.427 0.632 . . . . 0.0 109.706 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 64' ' ' ARG . 5.5 p -48.4 137.78 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 CA-C-O 121.937 0.875 . . . . 0.0 110.529 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 50.97 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.491 0.663 . . . . 0.0 110.23 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 71' ' ' GLU . 88.3 tttt -134.55 -91.36 0.33 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.6 mt 51.87 5.17 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.724 -0.61 . . . . 0.0 109.552 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' A' ' 69' ' ' LYS . 5.1 tp10 -102.52 138.44 39.43 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.955 0.883 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.49 ' HD1' ' H ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -150.37 137.93 19.78 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.111 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -66.25 159.9 25.52 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-O 121.587 0.708 . . . . 0.0 110.281 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.504 ' ND1' ' O ' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -98.04 46.36 1.01 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.628 -0.67 . . . . 0.0 109.622 -179.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 52.65 70.3 0.59 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.889 0.852 . . . . 0.0 109.693 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -146.64 147.16 30.75 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.56 0.695 . . . . 0.0 109.714 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 48.7 m80 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.131 -0.937 . . . . 0.0 110.139 -179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.551 0.691 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -79.49 160.54 26.51 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.61 0.719 . . . . 0.0 110.132 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.13 -45.48 91.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.648 -0.658 . . . . 0.0 110.053 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -65.51 -37.78 87.77 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.468 0.652 . . . . 0.0 109.371 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.44 HD22 ' C ' ' B' ' 5' ' ' ASN . 0.4 OUTLIER -64.81 -45.62 85.46 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -70.72 -38.77 73.63 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.518 0.675 . . . . 0.0 109.44 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.73 -41.72 98.0 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.557 0.694 . . . . 0.0 109.507 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -62.73 -39.88 95.48 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 5' ' ' ASN . 62.1 t -62.03 -46.22 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.282 0.563 . . . . 0.0 109.514 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -53.1 -42.28 65.78 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' B' ' 15' ' ' SER . 59.8 ttt180 -60.69 -42.91 98.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.699 -0.626 . . . . 0.0 109.507 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.7 -42.61 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.694 -0.629 . . . . 0.0 109.765 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -60.26 -43.5 96.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.46 -0.775 . . . . 0.0 109.334 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' B' ' 15' ' ' SER . 95.9 mt -92.1 -4.05 54.88 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.457 ' N ' ' O ' ' B' ' 11' ' ' ARG . 15.6 m 40.15 51.63 2.69 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.86 0.838 . . . . 0.0 110.216 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.78 144.3 35.27 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.744 0.783 . . . . 0.0 110.209 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.7 p -92.92 139.28 30.7 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.799 0.809 . . . . 0.0 109.704 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -34.47 77.66 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.8 -44.79 95.22 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.386 0.613 . . . . 0.0 109.576 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -61.19 -49.08 78.63 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.395 0.617 . . . . 0.0 110.171 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.95 -45.0 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.442 -0.786 . . . . 0.0 109.927 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.96 69.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -45.1 88.47 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.592 0.71 . . . . 0.0 109.183 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.38 -46.87 37.6 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.69 0.757 . . . . 0.0 109.458 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -64.87 -39.32 93.36 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 32.07 36.06 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 41.1 pt -119.12 163.63 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 121.645 -0.915 . . . . 0.0 109.798 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.0 m -66.58 149.39 50.54 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.912 0.863 . . . . 0.0 110.075 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -62.12 -33.2 74.02 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.321 0.582 . . . . 0.0 109.566 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -59.35 -44.21 92.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.602 -0.686 . . . . 0.0 109.557 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.94 -43.07 89.1 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.689 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.33 -41.11 96.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.533 -0.729 . . . . 0.0 109.876 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.73 -36.42 76.54 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.456 0.646 . . . . 0.0 109.759 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' B' ' 38' ' ' SER . 4.6 m120 -63.4 -40.45 97.23 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.309 0.576 . . . . 0.0 110.157 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.85 -43.73 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.789 -0.569 . . . . 0.0 109.611 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -66.92 -31.83 72.68 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.613 -0.679 . . . . 0.0 109.354 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -96.28 -7.1 36.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.387 -0.821 . . . . 0.0 109.415 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.51 ' N ' ' O ' ' B' ' 34' ' ' ASN . 33.0 t -61.9 150.21 38.2 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.869 0.842 . . . . 0.0 110.332 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.2 -118.57 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.304 0.573 . . . . 0.0 110.031 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 67.5 p -87.56 169.25 12.34 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.954 0.883 . . . . 0.0 110.965 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.417 ' HB1' HG21 ' B' ' 45' ' ' VAL . . . -78.11 155.93 79.58 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.8 159.61 53.05 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.65 2.233 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 6.2 m -58.18 -16.83 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.64 -43.93 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.491 0.662 . . . . 0.0 109.623 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.417 HG21 ' HB1' ' B' ' 41' ' ' ALA . 54.2 t -62.35 -41.82 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 CA-C-O 121.493 0.664 . . . . 0.0 109.618 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -57.93 -40.92 81.61 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.51 -0.744 . . . . 0.0 109.246 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.52 -43.75 98.31 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.767 0.794 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.469 HG23 HD13 ' B' ' 58' ' ' LEU . 86.1 mt -63.49 -42.96 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 CA-C-O 121.483 0.659 . . . . 0.0 109.705 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.16 73.88 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.631 -0.668 . . . . 0.0 109.585 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.624 ' CE2' ' NZ ' ' B' ' 54' ' ' LYS . 13.3 t80 -61.13 -48.33 82.11 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.458 ' CD1' HD11 ' A' ' 7' ' ' LEU . 92.4 mt -64.62 -39.45 93.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.407 HH22 ' HB2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -60.16 -40.93 91.64 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.399 0.619 . . . . 0.0 109.384 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t -58.0 -33.3 68.78 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.624 ' NZ ' ' CE2' ' B' ' 50' ' ' PHE . 63.3 mttp -79.05 1.17 24.97 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.634 0.731 . . . . 0.0 109.065 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.76 88.11 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 57' ' ' ASP . 52.4 t -64.13 -21.0 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.504 -0.998 . . . . 0.0 109.069 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' B' ' 56' ' ' VAL . 10.1 t70 75.93 43.64 0.16 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.886 0.85 . . . . 0.0 108.824 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.469 HD13 HG23 ' B' ' 48' ' ' ILE . 5.5 tt -63.53 -41.04 98.49 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.377 0.608 . . . . 0.0 109.881 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -44.24 -40.73 5.36 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.391 -0.818 . . . . 0.0 109.547 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.94 -34.23 64.24 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.791 0.805 . . . . 0.0 109.243 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 58' ' ' LEU . 47.0 tp -60.27 -41.65 93.71 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -72.0 -41.98 66.98 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.603 -0.686 . . . . 0.0 110.795 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -51.59 -43.5 62.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.527 -0.733 . . . . 0.0 110.13 -177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -6.04 4.87 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 121.574 -0.704 . . . . 0.0 110.119 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 35.3 mm -94.06 -54.07 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.306 -0.871 . . . . 0.0 109.369 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 23.2 pt -68.77 135.92 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-O 122.029 0.918 . . . . 0.0 110.505 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.418 HG23 ' H ' ' B' ' 69' ' ' LYS . 16.9 m -153.22 -126.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.407 ' N ' HG23 ' B' ' 67' ' ' VAL . 3.8 m120 -85.76 -0.39 55.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.451 -0.781 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.418 ' H ' HG23 ' B' ' 67' ' ' VAL . 68.7 mttm 56.27 86.02 0.07 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.642 0.734 . . . . 0.0 109.957 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 68.8 mt -82.09 41.52 0.68 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.331 0.586 . . . . 0.0 109.822 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -168.35 129.44 1.32 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.514 -0.741 . . . . 0.0 109.772 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' B' ' 72' ' ' HIS . 6.9 t60 -94.32 55.11 1.95 Allowed 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.685 0.755 . . . . 0.0 109.204 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' B' ' 72' ' ' HIS . 69.2 m-70 41.67 -164.64 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.308 0.575 . . . . 0.0 110.133 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' B' ' 75' ' ' HIS . 83.5 t60 -127.11 -113.53 0.28 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.582 -0.699 . . . . 0.0 109.605 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.476 ' H ' ' CD2' ' B' ' 74' ' ' HIS . 15.6 t-80 -154.94 79.75 1.07 Allowed 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' B' ' 77' ' ' HIS . 63.7 m-70 -80.9 174.41 11.65 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.79 0.805 . . . . 0.0 110.484 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' B' ' 76' ' ' HIS . 16.4 p-80 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.657 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mtp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -81.23 177.76 8.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.406 -0.809 . . . . 0.0 110.015 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.42 -44.73 95.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.323 -0.861 . . . . 0.0 110.066 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 -39.27 78.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 110.467 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.7 t-20 -64.3 -42.39 96.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 0.0 109.955 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.27 -37.95 78.14 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.304 -0.873 . . . . 0.0 109.232 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.07 -41.73 98.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.548 -0.72 . . . . 0.0 109.309 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -69.06 -42.07 76.73 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.885 -1.134 . . . . 0.0 109.988 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 5' ' ' ASN . 28.3 t -48.27 -64.46 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.112 -0.993 . . . . 0.0 110.506 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.43 -44.83 76.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.358 -0.839 . . . . 0.0 109.841 -179.033 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' NH2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.8 -42.96 94.56 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.336 -0.852 . . . . 0.0 109.148 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.55 -43.39 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.817 -0.552 . . . . 0.0 109.906 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.626 ' HE ' ' HA ' ' A' ' 10' ' ' GLU . 60.3 mtm180 -54.72 -43.74 72.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.819 . . . . 0.0 109.609 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' SER . 90.6 mt -87.82 -0.89 57.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 108.6 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . 16.8 m 36.32 66.65 0.37 Allowed 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.346 0.593 . . . . 0.0 110.225 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 85.0 mt -81.69 132.69 35.3 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.541 -0.724 . . . . 0.0 109.536 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -81.07 147.27 30.2 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.287 -0.883 . . . . 0.0 110.307 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.67 93.9 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.664 -0.648 . . . . 0.0 109.844 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -64.58 -45.76 85.63 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.324 -0.86 . . . . 0.0 109.858 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.1 p -64.96 -46.75 80.21 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.22 -0.925 . . . . 0.0 109.857 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -67.06 -47.21 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.354 -0.841 . . . . 0.0 110.021 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.79 94.99 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.0 110.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.09 -46.87 69.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.287 -0.883 . . . . 0.0 110.117 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -67.62 -49.03 65.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.386 -0.821 . . . . 0.0 110.01 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.5 mtp -67.91 -38.33 82.8 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.242 -0.911 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.95 44.01 4.9 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.7 pt -127.17 162.22 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.521 -0.988 . . . . 0.0 110.13 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 t -74.42 150.66 39.87 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.449 -0.782 . . . . 0.0 110.036 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.17 -36.02 82.25 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.05 -41.13 82.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.928 . . . . 0.0 109.129 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -64.35 -39.95 94.9 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.327 -0.858 . . . . 0.0 109.136 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.69 -45.9 90.65 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -37.27 84.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.347 -0.846 . . . . 0.0 109.625 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -62.97 -43.16 99.56 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.396 -0.815 . . . . 0.0 109.478 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.23 -42.95 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.0 109.486 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.19 -37.82 70.12 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.53 -0.731 . . . . 0.0 110.295 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -95.16 -3.9 47.02 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.121 -0.987 . . . . 0.0 109.372 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 147.79 45.73 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.263 -0.898 . . . . 0.0 110.111 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -142.5 31.12 1.5 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.661 -0.649 . . . . 0.0 109.281 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.92 108.09 6.07 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.262 -0.899 . . . . 0.0 109.075 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.45 150.96 94.0 Favored Pre-proline 0 N--CA 1.488 1.443 0 O-C-N 121.428 -0.795 . . . . 0.0 109.417 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.51 155.32 63.7 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.264 1.976 . . . . 0.0 112.958 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.64 -21.48 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.596 -0.69 . . . . 0.0 109.347 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.22 -44.17 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 109.417 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.8 t -61.39 -45.19 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.254 -0.904 . . . . 0.0 109.23 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.73 -40.78 98.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.26 -45.59 92.74 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.87 -43.03 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 CA-C-O 121.232 0.539 . . . . 0.0 109.669 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.19 73.77 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.321 -0.862 . . . . 0.0 109.261 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -61.89 -47.38 85.23 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 51' ' ' LEU . 96.0 mt -65.7 -40.45 92.3 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.429 -0.794 . . . . 0.0 109.598 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -64.44 -36.65 84.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.147 -0.971 . . . . 0.0 109.749 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.0 p -59.79 -21.94 61.49 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.154 -0.966 . . . . 0.0 109.349 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -89.31 3.05 53.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.988 . . . . 0.0 109.035 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.64 23.1 60.75 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.52 131.74 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.059 -1.259 . . . . 0.0 109.954 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.17 54.38 0.87 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.397 -0.814 . . . . 0.0 109.755 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tp -77.98 -24.14 48.13 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.89 -35.52 80.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.365 -0.835 . . . . 0.0 108.837 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.4 89.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.397 -0.815 . . . . 0.0 109.556 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.331 -0.856 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -41.79 96.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.589 -0.694 . . . . 0.0 110.089 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -62.53 -36.84 83.86 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.166 -0.958 . . . . 0.0 110.425 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -61.43 -33.15 73.24 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.814 -1.179 . . . . 0.0 109.815 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' ILE . 35.3 mm -62.71 -42.37 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.873 . . . . 0.0 110.472 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' ILE . 96.7 mt -42.34 120.25 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.279 -0.888 . . . . 0.0 110.236 -179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.5 132.93 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.587 -0.696 . . . . 0.0 110.744 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' LEU . 64.6 m-80 -87.43 113.66 23.33 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.45 -0.782 . . . . 0.0 109.314 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 70' ' ' LEU . 61.1 tttp -68.98 67.2 0.15 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.22 -0.925 . . . . 0.0 110.101 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' ASN . 63.4 mt 41.89 -165.75 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 CA-C-O 121.626 0.727 . . . . 0.0 110.986 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.06 124.66 30.66 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-O 121.662 0.744 . . . . 0.0 110.626 -179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.493 ' C ' ' HD1' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -161.61 -57.7 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.142 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.569 ' O ' ' N ' ' A' ' 75' ' ' HIS . 84.5 m-70 -67.48 -38.35 84.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 109.236 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 75' ' ' HIS . 18.0 t-160 34.59 -85.5 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.06 0.457 . . . . 0.0 111.401 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' A' ' 73' ' ' HIS . 47.0 m-70 -48.65 177.95 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.387 -0.821 . . . . 0.0 110.725 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 75' ' ' HIS . 1.4 t-80 38.99 96.62 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.427 0.632 . . . . 0.0 110.511 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 117.924 -1.036 . . . . 0.0 109.606 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtm . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' B' ' 6' ' ' GLU . 14.7 mt-10 62.13 136.99 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.51 0.671 . . . . 0.0 110.055 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.68 -43.14 97.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.484 -0.76 . . . . 0.0 109.769 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -55.86 -37.59 68.97 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.32 -0.862 . . . . 0.0 110.686 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.4 ' O ' HG23 ' B' ' 9' ' ' VAL . 0.4 OUTLIER -60.57 -45.96 91.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.943 -1.098 . . . . 0.0 111.012 -178.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 6' ' ' GLU . 1.1 mp0 -69.21 -48.22 62.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.967 -1.083 . . . . 0.0 109.749 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.67 -42.75 99.79 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.361 -0.837 . . . . 0.0 109.233 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -54.95 -42.36 72.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.467 -0.771 . . . . 0.0 110.112 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 5' ' ' ASN . 67.1 t -60.53 -47.82 91.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.194 -0.942 . . . . 0.0 109.707 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.34 -30.84 65.11 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.784 -1.198 . . . . 0.0 109.35 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -61.39 -37.47 83.52 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.402 ' HA ' HH12 ' B' ' 11' ' ' ARG . 80.7 mt -85.01 -42.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.418 -0.801 . . . . 0.0 109.82 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -59.27 -42.14 90.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.082 -1.011 . . . . 0.0 108.64 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -82.05 -2.84 53.11 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.8 m 41.01 82.77 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.278 0.561 . . . . 0.0 110.632 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.68 137.41 34.79 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 121.807 0.813 . . . . 0.0 109.775 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -94.46 123.58 37.97 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.674 0.75 . . . . 0.0 109.437 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.91 83.95 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.614 -0.679 . . . . 0.0 110.113 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -63.88 -46.72 83.64 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.23 -0.919 . . . . 0.0 110.436 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.7 t -66.58 -46.62 75.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.156 -0.965 . . . . 0.0 109.998 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.75 -45.45 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 121.498 -0.751 . . . . 0.0 109.646 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.45 98.17 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.553 -0.717 . . . . 0.0 110.315 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -64.1 -49.5 71.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.197 -0.94 . . . . 0.0 109.674 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -67.86 -41.67 82.51 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.309 -0.869 . . . . 0.0 109.421 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 74.8 mmm -66.42 -39.34 88.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.425 -0.797 . . . . 0.0 109.501 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.77 32.55 11.02 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 27' ' ' ILE . 19.5 pt -127.02 165.85 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.355 -1.085 . . . . 0.0 110.1 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 14.4 m -74.14 153.26 39.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.449 -0.782 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -63.37 -36.06 82.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.609 -0.682 . . . . 0.0 109.745 179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.91 -41.81 96.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.609 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.82 -41.42 97.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.253 -0.905 . . . . 0.0 108.978 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.9 -41.95 99.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.549 -0.719 . . . . 0.0 109.364 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -36.07 73.54 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.45 -0.781 . . . . 0.0 109.479 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.69 -39.22 90.68 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.91 97.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.589 -0.695 . . . . 0.0 109.458 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -58.03 -43.07 86.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.407 -0.808 . . . . 0.0 109.852 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -97.2 36.54 1.44 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.172 -0.955 . . . . 0.0 109.37 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.3 t -83.23 99.77 10.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.35 -0.843 . . . . 0.0 109.74 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -102.13 -10.46 19.62 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.5 m -125.49 93.68 3.92 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.75 153.99 89.29 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.375 -0.828 . . . . 0.0 109.773 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.76 162.26 43.21 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 122.677 2.251 . . . . 0.0 113.059 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.429 ' H ' HG22 ' B' ' 43' ' ' VAL . 9.3 m -59.18 -18.35 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.466 -0.771 . . . . 0.0 109.845 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.42 -42.97 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.128 -0.982 . . . . 0.0 109.705 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.51 -44.04 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.147 -0.97 . . . . 0.0 109.356 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.64 -39.37 88.04 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.208 -0.932 . . . . 0.0 108.775 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.14 -47.31 85.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.46 -0.775 . . . . 0.0 109.358 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.92 -44.33 97.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.363 -0.835 . . . . 0.0 109.551 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.19 90.15 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.374 -0.829 . . . . 0.0 109.741 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -62.2 -46.59 88.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.35 -0.844 . . . . 0.0 108.883 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.582 HD13 ' OE1' ' A' ' 10' ' ' GLU . 86.0 mt -63.3 -42.93 99.08 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.42 -0.8 . . . . 0.0 109.503 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.449 HH11 ' HG3' ' B' ' 52' ' ' ARG . 25.7 tpt85 -64.47 -40.65 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.382 -0.824 . . . . 0.0 109.349 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -61.07 -18.2 56.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.465 -0.772 . . . . 0.0 109.509 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.425 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 98.4 mttt -91.04 2.81 56.04 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.362 -0.836 . . . . 0.0 108.951 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.65 1.52 65.89 Favored Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -63.33 137.35 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -1.203 . . . . 0.0 109.173 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 57' ' ' ASP . 10.3 p-10 -83.91 90.12 7.34 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 122.005 0.907 . . . . 0.0 110.816 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' B' ' 58' ' ' LEU . 3.9 mm? -86.21 -13.09 47.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.034 -1.041 . . . . 0.0 108.413 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' B' ' 59' ' ' ASN . 8.9 p-10 -67.72 -48.88 65.25 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.32 -0.863 . . . . 0.0 109.61 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.42 91.47 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.322 -0.861 . . . . 0.0 110.201 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 45.9 tp -61.14 -47.63 85.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.289 -0.882 . . . . 0.0 109.543 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.79 -38.26 89.96 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.762 -0.586 . . . . 0.0 110.072 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -55.94 -40.07 72.61 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.523 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mmp_? -69.24 -36.15 76.86 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.126 -0.984 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.94 -46.65 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.81 -1.181 . . . . 0.0 110.766 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 pt -59.32 131.75 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 120.979 -1.076 . . . . 0.0 110.736 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.6 131.97 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.595 -0.691 . . . . 0.0 110.068 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -83.18 115.6 22.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.426 -0.796 . . . . 0.0 109.368 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -47.34 120.51 3.25 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.367 -0.833 . . . . 0.0 110.095 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.86 87.48 7.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 109.654 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.584 ' O ' ' N ' ' B' ' 73' ' ' HIS . 20.2 tp10 -173.08 172.6 3.87 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.592 ' O ' ' ND1' ' B' ' 72' ' ' HIS . 0.0 OUTLIER -58.18 71.98 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.06 -1.025 . . . . 0.0 111.386 -178.445 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.584 ' N ' ' O ' ' B' ' 71' ' ' GLU . 4.5 t60 -132.41 12.44 4.55 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 178.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -74.15 20.51 0.11 Allowed 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.521 ' H ' ' C ' ' B' ' 73' ' ' HIS . 39.0 m170 -77.64 153.41 33.18 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.431 -0.793 . . . . 0.0 109.795 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 77' ' ' HIS . 9.1 p-80 -46.84 -14.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.288 -0.883 . . . . 0.0 110.574 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' B' ' 77' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.992 0 O-C-N 121.236 -0.915 . . . . 0.0 109.997 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mtp . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.577 0.703 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -65.13 137.56 57.73 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.416 -0.803 . . . . 0.0 109.472 -179.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.82 -41.54 95.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.562 -0.711 . . . . 0.0 110.279 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.9 m -57.51 -34.35 68.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.344 -0.847 . . . . 0.0 110.299 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -62.63 -40.3 96.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.301 -0.875 . . . . 0.0 110.06 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -64.91 -41.25 95.74 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.647 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.15 -42.35 99.17 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.249 -0.907 . . . . 0.0 109.235 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.16 -45.38 88.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.424 -0.797 . . . . 0.0 109.875 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.47 -47.42 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.0 110.035 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.86 -43.92 97.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.302 -0.874 . . . . 0.0 109.973 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -60.36 -44.35 95.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.073 -1.017 . . . . 0.0 108.822 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.99 -42.96 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.514 -0.742 . . . . 0.0 109.182 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.413 -0.804 . . . . 0.0 109.792 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.9 mt -85.66 -4.13 59.08 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p 42.1 59.17 2.69 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.679 -0.638 . . . . 0.0 110.041 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.96 142.13 30.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.455 -0.778 . . . . 0.0 109.693 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 p -82.14 136.68 35.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.464 -0.773 . . . . 0.0 110.428 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -65.41 -36.04 82.75 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.576 -0.702 . . . . 0.0 109.549 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.72 -46.9 85.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.883 . . . . 0.0 109.944 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.8 t -61.81 -45.18 94.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.243 -0.911 . . . . 0.0 109.625 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -67.48 -42.67 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.309 -0.869 . . . . 0.0 109.666 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.69 90.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.0 110.407 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -65.76 -37.65 86.92 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.104 -0.997 . . . . 0.0 109.589 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.14 -44.19 60.5 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.06 -1.025 . . . . 0.0 109.418 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -65.37 -39.25 92.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.486 -0.759 . . . . 0.0 109.621 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.51 26.86 9.58 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 pt -127.83 168.37 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.45 -1.029 . . . . 0.0 110.137 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 154.99 41.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.475 -0.765 . . . . 0.0 110.117 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -61.72 -43.05 99.59 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.528 -0.733 . . . . 0.0 109.57 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -64.9 -36.7 85.2 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.177 -0.952 . . . . 0.0 108.957 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.09 -37.01 85.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.37 -0.831 . . . . 0.0 108.796 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 18' ' ' ALA . 13.7 tp -60.97 -44.77 96.85 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.221 -0.925 . . . . 0.0 108.68 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.4 m -67.87 -33.55 74.97 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.863 0.84 . . . . 0.0 108.98 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -64.93 -36.52 84.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.663 -0.648 . . . . 0.0 110.327 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -43.45 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.955 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -64.81 -36.87 85.74 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.493 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -107.74 38.53 2.14 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 p -82.46 -92.02 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -0.866 . . . . 0.0 109.526 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -166.54 -143.57 0.06 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.38 -0.825 . . . . 0.0 110.041 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 p -72.13 166.4 22.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.285 -0.884 . . . . 0.0 110.65 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.04 151.6 47.15 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.58 -0.7 . . . . 0.0 109.696 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.16 150.35 59.55 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.583 2.189 . . . . 0.0 112.762 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' B' ' 35' ' ' ILE . 7.1 p -63.86 -16.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.534 -0.729 . . . . 0.0 109.793 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.9 t -59.32 -42.56 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.362 -0.836 . . . . 0.0 109.592 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.37 -42.38 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 0.0 109.684 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' CD ' ' SD ' ' B' ' 25' ' ' MET . 63.9 mttp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.961 -1.087 . . . . 0.0 109.144 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -54.98 39.09 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.6 mt -46.76 -36.16 3.04 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.312 -0.868 . . . . 0.0 109.296 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.05 93.52 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.428 -0.795 . . . . 0.0 109.685 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.04 -45.77 90.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD11 HD21 ' B' ' 7' ' ' LEU . 91.5 mt -63.36 -42.44 98.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.894 . . . . 0.0 109.648 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -65.8 -37.84 87.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -0.909 . . . . 0.0 109.507 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.51 -20.5 55.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.292 -0.88 . . . . 0.0 109.088 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -90.64 2.97 55.41 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.02 25.4 57.86 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 58' ' ' LEU . 56.1 t -67.72 137.87 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.273 -1.133 . . . . 0.0 110.071 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.53 63.23 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.589 0.709 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' VAL . 53.6 tp -65.57 -41.63 92.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.714 . . . . 0.0 109.325 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 28.4 p-10 -60.14 -43.7 95.51 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.414 -0.804 . . . . 0.0 110.18 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' N ' ' OD1' ' A' ' 59' ' ' ASN . . . -65.6 -38.29 89.05 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.098 -1.001 . . . . 0.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 61' ' ' LEU . 4.1 tt -62.44 -52.75 62.32 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.822 -179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -69.61 -42.35 74.48 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.335 -0.853 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -48.78 -43.02 37.56 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 108.82 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -46.02 71.89 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.565 -0.709 . . . . 0.0 109.975 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' VAL . 96.5 mt -65.35 -43.6 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.145 -0.972 . . . . 0.0 110.444 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -54.54 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.116 -0.99 . . . . 0.0 109.943 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ILE . 7.4 p -113.26 131.53 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-O 121.596 0.712 . . . . 0.0 109.839 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -72.23 -166.68 0.26 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.445 -0.784 . . . . 0.0 109.646 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' LEU . 68.7 mttm 56.53 14.85 1.82 Allowed 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.599 ' H ' HD12 ' A' ' 70' ' ' LEU . 10.3 mp 38.06 80.44 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.551 0.691 . . . . 0.0 110.389 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -101.32 -40.26 7.2 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.455 ' CG ' ' N ' ' A' ' 73' ' ' HIS . 30.4 p80 -70.36 -39.15 74.8 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.477 -0.764 . . . . 0.0 109.665 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.455 ' N ' ' CG ' ' A' ' 72' ' ' HIS . 11.2 t-80 -77.34 121.24 23.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.186 -0.946 . . . . 0.0 109.879 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -176.08 111.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -146.37 -58.33 0.3 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.191 -0.943 . . . . 0.0 108.577 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -77.81 157.51 29.91 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.431 -0.793 . . . . 0.0 109.994 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.457 ' H ' ' CD2' ' A' ' 77' ' ' HIS . 66.2 m-70 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.095 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mmm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -81.06 157.65 25.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.394 -0.816 . . . . 0.0 110.201 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.23 -44.05 96.33 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.449 -0.782 . . . . 0.0 109.693 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -67.82 -35.75 79.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.656 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -62.95 -43.74 97.97 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.138 -0.976 . . . . 0.0 108.606 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.475 ' O ' ' OE1' ' B' ' 10' ' ' GLU . 4.5 mm-40 -69.73 -42.9 73.36 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.64 ' O ' HD23 ' B' ' 7' ' ' LEU . 3.8 tt -57.91 -41.54 82.86 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.746 . . . . 0.0 109.202 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -62.03 -39.96 94.09 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 109.396 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 82.9 t -62.28 -46.65 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.188 -0.945 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' B' ' 6' ' ' GLU . 6.0 mp0 -66.53 -38.32 86.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.115 -0.991 . . . . 0.0 109.64 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -59.45 -46.89 87.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -0.999 . . . . 0.0 108.797 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.45 -40.65 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.482 -0.761 . . . . 0.0 109.446 179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 60.5 ttm-85 -53.61 -41.82 67.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.373 -0.829 . . . . 0.0 109.427 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 94.1 mt -83.74 -8.16 59.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.08 -1.013 . . . . 0.0 108.769 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.468 ' C ' HD22 ' B' ' 16' ' ' LEU . 3.4 t 59.04 61.92 2.0 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.182 0.515 . . . . 0.0 110.458 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.468 HD22 ' C ' ' B' ' 15' ' ' SER . 4.2 mm? -110.38 133.0 53.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 121.86 0.838 . . . . 0.0 109.645 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -86.88 154.56 20.76 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.612 0.72 . . . . 0.0 109.675 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.98 82.03 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.511 -0.743 . . . . 0.0 109.274 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.12 -42.39 99.53 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.498 -0.752 . . . . 0.0 109.655 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -60.31 -50.86 71.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.172 -0.955 . . . . 0.0 110.152 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.14 -44.06 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 CA-C-O 121.718 0.77 . . . . 0.0 109.828 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -30.23 70.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.494 -0.754 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -67.62 -35.5 79.04 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.257 -0.902 . . . . 0.0 109.385 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.64 -68.47 0.33 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.423 -0.798 . . . . 0.0 109.235 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.406 ' SD ' ' CD ' ' A' ' 46' ' ' LYS . 68.0 mtm -67.02 -39.09 86.96 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.692 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.46 52.69 2.28 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.048 -1.621 . . . . 0.0 109.048 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 26.6 pt -122.1 163.56 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 121.527 -0.984 . . . . 0.0 109.793 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -66.38 146.97 53.96 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.476 -0.765 . . . . 0.0 110.332 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.5 -33.07 72.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.632 -0.668 . . . . 0.0 109.213 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -63.63 -40.83 97.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.918 . . . . 0.0 109.524 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -63.88 -45.68 88.33 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.276 -0.89 . . . . 0.0 109.839 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.05 -42.15 97.12 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.205 -0.935 . . . . 0.0 109.374 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 t -60.64 -34.15 73.84 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.822 0.82 . . . . 0.0 109.124 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' B' ' 38' ' ' SER . 21.0 t30 -66.21 -33.98 76.99 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.235 -0.916 . . . . 0.0 110.003 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.421 HD11 ' CG1' ' A' ' 43' ' ' VAL . 96.4 mt -62.15 -46.54 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.997 -1.064 . . . . 0.0 110.199 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -70.07 -23.07 63.02 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.482 -0.762 . . . . 0.0 109.673 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -107.98 2.84 23.53 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.535 -0.728 . . . . 0.0 109.507 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 34' ' ' ASN . 21.0 p -63.48 171.55 2.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.01 -1.056 . . . . 0.0 110.419 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -71.83 -121.29 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.559 -0.713 . . . . 0.0 110.188 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.2 t -92.07 -174.05 3.65 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.407 -0.808 . . . . 0.0 110.655 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.58 150.95 57.88 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -70.17 157.38 59.77 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 122.655 2.236 . . . . 0.0 113.114 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.75 -22.83 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.589 -0.694 . . . . 0.0 110.107 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.0 -43.51 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.116 -0.99 . . . . 0.0 109.6 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 83.7 t -61.6 -43.74 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.043 -1.036 . . . . 0.0 109.329 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.39 -40.98 96.33 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.188 -0.945 . . . . 0.0 108.788 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -61.46 -46.55 89.6 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.0 0.905 . . . . 0.0 108.634 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.07 -42.28 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 O-C-N 121.495 -0.753 . . . . 0.0 108.971 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.29 67.0 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.529 -0.732 . . . . 0.0 110.079 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -62.1 -48.88 78.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.11 -0.994 . . . . 0.0 108.644 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.37 -39.94 89.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 109.497 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.09 -41.8 98.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.413 -0.804 . . . . 0.0 109.912 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 36.0 t -59.13 -17.83 30.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.639 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -94.19 -1.23 54.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 108.964 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.52 25.54 60.78 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.602 ' O ' ' N ' ' B' ' 58' ' ' LEU . 59.3 t -67.14 136.87 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.127 -1.219 . . . . 0.0 109.664 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 82.28 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.617 0.722 . . . . 0.0 109.712 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.602 ' N ' ' O ' ' B' ' 56' ' ' VAL . 54.2 tp -91.54 -50.72 5.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.563 -0.71 . . . . 0.0 110.273 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -60.94 -41.27 95.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.877 . . . . 0.0 109.914 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.7 -40.14 91.98 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.146 -0.971 . . . . 0.0 109.438 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.34 -48.11 82.87 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.433 -0.792 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' B' ' 63' ' ' ASP . 9.7 m-85 -69.58 -42.23 74.74 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.535 -0.728 . . . . 0.0 109.77 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 62' ' ' PHE . 33.0 t70 -40.25 -45.47 2.08 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.453 0.644 . . . . 0.0 109.963 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -69.73 -42.51 73.88 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.563 -0.71 . . . . 0.0 109.381 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' B' ' 66' ' ' ILE . 96.9 mt -66.08 -42.36 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.203 -0.936 . . . . 0.0 109.949 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' B' ' 65' ' ' ILE . 4.8 mm -37.79 118.88 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 CA-C-O 121.646 0.736 . . . . 0.0 110.428 -178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 71.3 t -95.65 126.83 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.45 -17.49 9.38 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -116.32 -120.8 0.3 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.602 -0.686 . . . . 0.0 110.526 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' B' ' 71' ' ' GLU . 75.0 mt -76.57 -166.34 0.64 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.298 -0.876 . . . . 0.0 110.564 -178.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' B' ' 73' ' ' HIS . 0.1 OUTLIER 78.53 43.54 0.08 Allowed 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' B' ' 73' ' ' HIS . 74.9 m-70 -70.05 39.54 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.418 -0.801 . . . . 0.0 109.525 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' B' ' 71' ' ' GLU . 1.6 t-80 47.45 99.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.527 -0.733 . . . . 0.0 110.109 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -71.66 127.65 33.26 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.309 -0.869 . . . . 0.0 110.203 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.503 ' ND1' ' C ' ' B' ' 75' ' ' HIS . 2.1 t-80 -130.26 -38.29 1.4 Allowed 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -85.53 121.91 28.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.289 -0.882 . . . . 0.0 109.71 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.822 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.715 0.769 . . . . 0.0 108.927 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.94 -179.59 4.97 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.634 0.731 . . . . 0.0 110.445 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.13 -41.7 99.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.429 -0.794 . . . . 0.0 109.499 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 t -58.13 -36.76 73.42 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' HA ' ' HZ3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -62.86 -40.59 97.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.588 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -62.04 -44.65 96.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 0.0 109.789 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.11 -42.61 99.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.029 -1.044 . . . . 0.0 109.227 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HZ3' ' HB3' ' A' ' 8' ' ' LYS . 8.3 ttpm? -63.88 -44.79 91.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.446 -0.784 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.08 -45.31 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.917 . . . . 0.0 109.447 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -64.84 -34.71 79.03 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.267 -0.896 . . . . 0.0 108.915 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 15' ' ' SER . 51.0 ttp180 -61.11 -47.32 86.84 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -66.93 -42.13 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 CA-C-O 121.349 0.595 . . . . 0.0 109.51 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -54.71 -45.27 74.01 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.414 -0.804 . . . . 0.0 109.524 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.8 mt -100.55 -0.17 38.27 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.209 -0.932 . . . . 0.0 108.499 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' ARG . 3.0 t 45.16 79.82 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.517 -0.739 . . . . 0.0 109.738 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD22 ' NZ ' ' B' ' 54' ' ' LYS . 76.4 mt -104.82 132.98 50.39 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.452 -0.78 . . . . 0.0 109.424 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -79.93 135.02 36.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.381 -0.824 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.44 -37.36 84.99 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.503 -0.748 . . . . 0.0 109.816 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.09 -45.51 93.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.277 -0.889 . . . . 0.0 109.683 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 m -61.33 -46.29 90.89 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.304 -0.873 . . . . 0.0 110.105 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 77.7 t -67.48 -46.09 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.331 -0.855 . . . . 0.0 110.184 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.53 93.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.91 . . . . 0.0 110.078 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.63 -46.91 62.44 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.277 -0.889 . . . . 0.0 110.431 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.98 -35.82 72.26 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 110.205 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 71.1 mmm -62.62 -38.37 89.92 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.269 -0.895 . . . . 0.0 109.32 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.28 23.73 9.42 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 pt -126.52 162.25 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.975 . . . . 0.0 110.008 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.3 t -65.12 154.23 38.54 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.437 -0.789 . . . . 0.0 110.263 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -63.08 -38.98 93.36 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.73 -40.37 97.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.236 -0.915 . . . . 0.0 109.284 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -61.89 -40.4 95.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.59 -39.9 95.57 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.228 -0.92 . . . . 0.0 109.109 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.5 m -56.21 -38.86 71.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.303 -0.873 . . . . 0.0 109.345 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.99 -41.49 98.09 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.333 -0.854 . . . . 0.0 109.269 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.93 -42.83 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.175 -0.953 . . . . 0.0 109.904 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -64.02 -39.19 93.55 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.232 -0.918 . . . . 0.0 111.231 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.72 6.81 48.0 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.841 -1.162 . . . . 0.0 109.063 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -62.23 122.59 16.0 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.296 -0.877 . . . . 0.0 109.886 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -109.78 -7.35 15.06 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -114.05 123.13 48.91 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.34 152.88 37.95 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.367 -0.833 . . . . 0.0 109.568 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.54 159.63 50.73 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.77 2.313 . . . . 0.0 112.88 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.3 m -60.89 -16.99 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 109.267 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.81 -44.86 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 109.807 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.96 -44.34 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.155 -0.966 . . . . 0.0 109.32 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.9 -40.97 97.29 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.0 109.254 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -60.78 -44.49 96.72 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.113 -0.992 . . . . 0.0 108.359 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.18 -43.14 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.547 -0.72 . . . . 0.0 109.476 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.37 75.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 0.0 109.343 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -61.41 -44.75 96.6 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.436 -0.79 . . . . 0.0 108.898 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD11 HD11 ' B' ' 7' ' ' LEU . 96.1 mt -63.42 -40.53 97.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.261 -0.9 . . . . 0.0 108.95 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -61.16 -40.49 94.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.556 -0.715 . . . . 0.0 109.655 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 94.0 p -60.36 -21.16 61.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -93.32 -1.93 55.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.019 -1.051 . . . . 0.0 108.788 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' OD1' ' A' ' 57' ' ' ASP . . . 73.31 40.01 50.14 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 120.112 -1.042 . . . . 0.0 110.55 179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.8 t -67.95 -18.08 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.925 -1.338 . . . . 0.0 109.249 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.5 m-20 63.57 56.14 1.64 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.583 0.706 . . . . 0.0 109.706 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.627 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -64.96 -39.32 93.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.371 -0.831 . . . . 0.0 109.389 179.586 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.57 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 3.9 p-10 -39.57 -39.37 0.72 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.657 -0.652 . . . . 0.0 110.33 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.86 94.55 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.212 -0.93 . . . . 0.0 109.368 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' LEU . 96.7 mt -64.29 -43.42 94.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -64.01 -40.45 96.38 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.508 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.17 -34.98 75.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.456 -0.778 . . . . 0.0 109.127 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.9 mtt85 -67.02 -21.78 65.92 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.408 -0.808 . . . . 0.0 109.952 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.6 mm -71.74 -42.82 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.882 -1.136 . . . . 0.0 109.374 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.589 ' C ' ' H ' ' A' ' 68' ' ' ASN . 14.6 pt -95.64 -41.86 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.416 -0.803 . . . . 0.0 109.991 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 67' ' ' VAL . 79.7 t 56.07 -3.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.498 -0.751 . . . . 0.0 109.606 -178.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.589 ' H ' ' C ' ' A' ' 66' ' ' ILE . 54.0 p30 -84.74 -167.11 1.68 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 109.74 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt 56.67 90.59 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.762 . . . . 0.0 109.899 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.01 -170.92 2.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.464 -0.773 . . . . 0.0 109.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 73.38 28.47 1.76 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.23 162.59 40.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.128 -0.982 . . . . 0.0 109.064 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -150.03 169.21 21.76 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.099 -1.001 . . . . 0.0 109.915 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.444 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 7.9 m170 -86.34 131.94 34.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.22 -0.925 . . . . 0.0 109.273 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -67.59 -41.88 83.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.265 -0.897 . . . . 0.0 109.599 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' A' ' 77' ' ' HIS . 9.3 p80 -147.54 35.79 0.88 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.396 -0.815 . . . . 0.0 108.847 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.476 ' OXT' ' CG ' ' A' ' 77' ' ' HIS . 35.1 t60 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.172 -0.918 . . . . 0.0 109.518 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.7 tpp . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' B' ' 5' ' ' ASN . 15.1 pt-20 -61.4 174.18 0.77 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.502 -0.748 . . . . 0.0 110.662 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.89 -41.19 99.33 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.48 -0.762 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -60.0 -34.41 73.31 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.967 -1.083 . . . . 0.0 109.11 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.462 ' H ' ' HG3' ' B' ' 2' ' ' GLU . 0.4 OUTLIER -65.28 -40.72 94.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.497 -0.752 . . . . 0.0 109.323 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.95 -36.26 82.85 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.287 -0.883 . . . . 0.0 109.171 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.4 HD11 HD11 ' A' ' 51' ' ' LEU . 55.5 tp -62.58 -42.83 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.277 -0.889 . . . . 0.0 109.531 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -38.06 88.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.0 109.378 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.86 -42.93 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.281 -0.887 . . . . 0.0 109.134 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.458 ' OE2' ' CD1' ' A' ' 61' ' ' LEU . 89.4 mt-10 -55.45 -41.77 73.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.297 -0.877 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' B' ' 15' ' ' SER . 10.5 ttp180 -60.39 -47.07 87.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.366 -0.834 . . . . 0.0 108.901 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.51 -42.69 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' B' ' 13' ' ' ARG . 41.8 ttt-85 -56.76 -45.72 81.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.479 -0.763 . . . . 0.0 109.337 -178.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' B' ' 15' ' ' SER . 96.5 mt -98.41 1.55 46.98 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.501 ' N ' ' O ' ' B' ' 11' ' ' ARG . 16.2 m 36.82 76.01 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mp -83.74 160.03 21.35 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.759 0.79 . . . . 0.0 110.026 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 p -97.08 126.05 41.97 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.83 82.42 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.58 -0.7 . . . . 0.0 109.544 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -63.92 -43.06 97.03 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.295 -0.878 . . . . 0.0 109.762 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -50.11 73.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 110.129 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.41 ' CG1' ' SD ' ' B' ' 25' ' ' MET . 85.8 t -68.56 -45.18 82.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 110.091 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.45 -46.57 82.56 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.296 -0.877 . . . . 0.0 110.552 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.53 -45.56 82.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.261 -0.899 . . . . 0.0 109.895 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.25 -43.64 73.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.519 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.41 ' SD ' ' CG1' ' B' ' 21' ' ' VAL . 91.5 mtp -66.18 -39.66 89.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.917 -1.114 . . . . 0.0 109.733 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.39 33.3 4.26 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 44.7 pt -130.29 165.7 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.419 -1.048 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.3 t -79.17 167.99 20.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.389 -0.82 . . . . 0.0 110.534 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' B' ' 29' ' ' ARG . 50.2 mtm-85 -64.93 -36.94 85.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.57 -0.706 . . . . 0.0 109.342 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -63.78 -48.07 78.39 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.27 -0.894 . . . . 0.0 110.217 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.14 -41.65 88.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.267 -0.896 . . . . 0.0 109.082 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 46.6 tp -63.91 -39.71 94.79 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.397 -0.814 . . . . 0.0 109.21 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 6.0 t -58.91 -32.29 69.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.366 -0.834 . . . . 0.0 109.083 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.19 -39.03 89.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.224 -0.923 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.26 -44.54 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.321 -0.862 . . . . 0.0 110.64 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -78.24 -15.08 59.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.892 -1.13 . . . . 0.0 108.995 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -98.63 11.82 37.27 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.0 t -59.8 142.77 52.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.858 . . . . 0.0 110.535 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -104.68 -36.96 7.27 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 77.6 p -131.88 156.58 45.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.554 -0.716 . . . . 0.0 109.529 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.71 151.95 38.79 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.43 160.5 49.55 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.64 2.227 . . . . 0.0 112.728 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.43 -19.38 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.0 109.131 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.17 -44.97 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.331 -0.856 . . . . 0.0 109.116 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -62.34 -44.2 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.317 -0.864 . . . . 0.0 109.049 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.81 -41.34 97.64 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.36 -0.838 . . . . 0.0 109.236 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -61.97 -44.28 97.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.32 -0.863 . . . . 0.0 109.183 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.517 HG23 HD21 ' B' ' 58' ' ' LEU . 94.4 mt -63.18 -43.5 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.61 -34.6 75.93 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.424 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.02 -49.01 79.33 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.347 -0.846 . . . . 0.0 108.85 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.78 -39.16 87.7 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.529 -0.732 . . . . 0.0 109.121 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' B' ' 52' ' ' ARG . 29.0 ttp180 -61.94 -41.19 97.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.3 -0.875 . . . . 0.0 109.501 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 37.5 m -62.79 -18.52 62.83 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.025 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.631 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 99.3 mttt -90.37 4.2 51.55 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.31 78.57 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.587 ' O ' ' N ' ' B' ' 58' ' ' LEU . 51.0 t -64.56 145.55 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.055 -1.262 . . . . 0.0 109.526 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -58.3 72.91 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.571 0.701 . . . . 0.0 109.528 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.2 OUTLIER -69.01 -43.07 75.54 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.57 0.7 . . . . 0.0 110.618 -178.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.76 -41.1 97.24 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.415 -0.803 . . . . 0.0 109.061 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.93 81.96 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.47 -0.769 . . . . 0.0 109.935 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.41 -50.71 72.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.074 -1.016 . . . . 0.0 110.1 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.24 -40.05 68.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.242 -0.911 . . . . 0.0 110.651 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.48 ' HB3' HH21 ' B' ' 64' ' ' ARG . 16.4 t0 -62.47 -38.46 89.92 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.519 -0.738 . . . . 0.0 110.431 -178.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.575 ' CA ' ' HE ' ' B' ' 64' ' ' ARG . 0.0 OUTLIER -58.92 -16.08 15.93 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.908 -1.12 . . . . 0.0 108.358 -179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 13.0 mm -92.0 -59.0 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 68' ' ' ASN . 97.1 mt -65.49 -43.69 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.498 -0.751 . . . . 0.0 109.619 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t 66.09 -42.98 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 CA-C-O 121.253 0.549 . . . . 0.0 109.81 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' B' ' 66' ' ' ILE . 29.5 m120 -68.68 122.32 18.29 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.293 -0.879 . . . . 0.0 110.376 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -169.75 90.6 0.2 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 91.0 mt -76.28 148.82 37.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.465 -0.772 . . . . 0.0 110.341 -178.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . 0.63 ' CD ' ' H ' ' B' ' 71' ' ' GLU . 0.7 OUTLIER -91.44 115.86 28.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.468 -0.77 . . . . 0.0 108.974 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' B' ' 72' ' ' HIS . 5.8 p-80 -137.17 66.24 1.47 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -43.73 154.18 0.1 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.453 -0.78 . . . . 0.0 110.273 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' HIS . . . . . 0.479 ' C ' ' ND1' ' B' ' 75' ' ' HIS . 62.4 m80 -92.15 21.01 5.39 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.4 -0.812 . . . . 0.0 108.878 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.479 ' ND1' ' C ' ' B' ' 74' ' ' HIS . 0.0 OUTLIER 53.78 175.08 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.591 -0.693 . . . . 0.0 110.196 179.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.95 -98.07 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.676 -0.64 . . . . 0.0 110.372 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' B' ' 75' ' ' HIS . 28.9 t-80 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.957 -179.257 . . . . . . . . 1 1 . 1 stop_ save_