data_2jx6_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 2jx6 _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 ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.95 -25.95 13.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.31 -1.112 . . . . 0.0 109.577 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.02 -24.45 16.9 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.595 -0.691 . . . . 0.0 110.017 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -75.37 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.445 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.15 63.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.54 -0.725 . . . . 0.0 110.523 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -71.79 67.02 0.57 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.348 -0.845 . . . . 0.0 110.08 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.54 -62.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.907 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.62 -55.42 26.01 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.696 0.76 . . . . 0.0 110.461 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.16 -50.42 11.35 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -58.16 3.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.274 -0.891 . . . . 0.0 109.745 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -29.48 15.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.59 -0.694 . . . . 0.0 110.532 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.97 1.99 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.097 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.78 -23.78 51.55 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -55.79 -67.79 0.26 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -1.126 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.72 -23.89 19.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.251 -0.906 . . . . 0.0 110.252 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.85 -61.33 2.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.491 -0.755 . . . . 0.0 110.199 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.59 -43.86 72.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.432 -0.792 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -61.97 -27.56 68.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.338 -0.851 . . . . 0.0 110.17 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.85 -68.2 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.377 -0.827 . . . . 0.0 110.238 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.07 -44.07 86.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.777 -0.577 . . . . 0.0 110.073 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -57.98 -21.0 42.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.0 110.5 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -88.1 -24.7 23.33 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.47 -0.769 . . . . 0.0 110.419 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.408 -179.812 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -53.25 -25.86 15.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.327 -1.102 . . . . 0.0 109.643 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -20.13 19.5 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.291 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.03 -76.76 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.209 -0.932 . . . . 0.0 110.326 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.72 -22.68 37.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.453 -0.779 . . . . 0.0 110.294 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -82.73 64.07 7.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.072 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.74 -62.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.377 -0.827 . . . . 0.0 109.775 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.06 -56.07 18.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.539 -0.726 . . . . 0.0 110.443 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.32 -50.94 15.62 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.97 -0.456 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -60.74 2.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.02 -39.32 26.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.622 -0.674 . . . . 0.0 110.591 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.6 -59.68 2.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 110.063 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.57 -38.32 80.44 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.27 -67.37 0.28 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.254 -1.145 . . . . 0.0 110.197 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.26 -23.51 23.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.302 -0.874 . . . . 0.0 110.32 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.89 -61.5 2.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 110.125 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.59 -27.95 19.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.412 -0.805 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -75.84 -33.08 60.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.369 -0.832 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.95 -45.5 92.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 121.195 0.522 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 m -58.8 -28.02 65.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.87 -29.04 55.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.724 . . . . 0.0 110.176 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.348 -0.845 . . . . 0.0 110.2 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.84 -28.13 21.49 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.378 -1.072 . . . . 0.0 109.755 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.1 -20.68 19.09 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.531 -0.731 . . . . 0.0 110.162 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.1 -90.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.275 -0.891 . . . . 0.0 110.32 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.06 64.82 0.54 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.15 -0.969 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -162.45 77.32 0.48 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.273 -0.892 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 177.18 -62.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.857 . . . . 0.0 109.97 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.05 -56.34 20.93 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.611 0.719 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.02 -45.36 10.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.949 -0.469 . . . . 0.0 111.243 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -61.97 1.63 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.0 110.052 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.63 51.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.542 -0.724 . . . . 0.0 110.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -61.09 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.378 -0.826 . . . . 0.0 110.18 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.22 -27.25 31.25 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -59.94 -67.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.323 -1.104 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -22.29 28.41 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.427 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.23 -60.7 3.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.8 . . . . 0.0 110.224 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.9 -46.04 64.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.543 -0.723 . . . . 0.0 110.5 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -65.35 -28.37 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.65 -65.87 0.62 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.346 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.97 -45.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-O 121.28 0.562 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 t -56.71 -28.3 60.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.363 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.79 -31.7 57.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 110.185 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.716 0 O-C-N 121.347 -0.846 . . . . 0.0 110.223 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -26.05 18.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.312 -1.11 . . . . 0.0 109.87 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.56 -16.1 17.6 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.556 -0.715 . . . . 0.0 110.443 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.04 -80.83 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.179 -0.951 . . . . 0.0 110.391 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.23 -22.89 61.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.383 -0.823 . . . . 0.0 110.175 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 65.87 3.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.166 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.6 -63.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 109.904 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.23 27.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 110.372 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.51 -46.55 13.94 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.987 -0.446 . . . . 0.0 111.122 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -62.5 1.49 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.227 -0.921 . . . . 0.0 110.166 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.77 -41.02 61.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.496 -0.752 . . . . 0.0 110.796 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.54 -60.05 2.7 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.243 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.23 -37.13 46.52 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -68.17 0.23 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -1.133 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.83 28.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.24 -61.38 2.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.119 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.91 -25.28 11.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.413 -0.804 . . . . 0.0 110.491 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -60.97 -31.93 71.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -60.87 2.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.19 -43.15 81.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 O-C-N 121.76 -0.587 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -57.31 -28.33 62.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.387 -0.821 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.46 -28.71 56.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.077 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.423 -0.798 . . . . 0.0 110.193 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.423 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -53.99 -25.75 22.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.3 -1.117 . . . . 0.0 109.641 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.82 -18.24 22.23 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.319 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.75 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.287 -0.883 . . . . 0.0 110.476 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.51 57.21 2.36 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.484 -0.76 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.44 54.14 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.045 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.87 -63.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.363 -0.835 . . . . 0.0 109.763 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.07 -53.97 45.85 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.759 0.79 . . . . 0.0 110.205 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.29 -52.68 9.39 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.039 0.447 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -60.09 2.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.324 -0.86 . . . . 0.0 109.982 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.19 26.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.595 -0.69 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.02 -61.1 1.89 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.84 . . . . 0.0 110.173 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.68 -27.88 44.28 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -56.96 -67.26 0.33 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.272 -1.134 . . . . 0.0 110.203 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.81 -23.34 29.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 110.238 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.43 -61.68 2.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.7 -34.42 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.518 -0.739 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.89 73.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.355 -0.841 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -61.25 2.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.233 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.22 -41.9 78.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.822 -0.549 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 t -56.91 -24.68 54.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.09 -26.89 33.23 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.4 -0.813 . . . . 0.0 110.236 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 110.231 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -25.94 14.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -1.084 . . . . 0.0 109.834 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -99.86 -16.25 18.1 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.51 -0.744 . . . . 0.0 110.47 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.74 -81.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.181 -0.949 . . . . 0.0 110.436 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.11 66.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.468 -0.77 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.6 78.26 4.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.6 -62.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.355 -0.841 . . . . 0.0 109.936 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -56.77 13.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.498 -0.751 . . . . 0.0 110.52 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.69 -51.24 16.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.872 -0.517 . . . . 0.0 111.001 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -57.75 3.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.363 -0.835 . . . . 0.0 109.919 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.26 -30.19 16.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.557 -0.714 . . . . 0.0 110.702 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -60.95 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.305 -0.872 . . . . 0.0 110.09 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.72 -24.5 60.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -57.23 -66.51 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.288 -1.125 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -24.23 12.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.187 -0.945 . . . . 0.0 110.354 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.23 2.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.485 -0.76 . . . . 0.0 110.15 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.1 -31.68 61.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.501 -0.749 . . . . 0.0 110.485 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -25.45 66.69 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.382 -0.824 . . . . 0.0 110.293 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -60.95 3.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 110.415 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.14 -45.73 92.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.758 -0.589 . . . . 0.0 110.073 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -25.68 60.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.324 -0.86 . . . . 0.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.58 -33.75 41.4 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.595 -0.691 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.452 -0.78 . . . . 0.0 110.248 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.397 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -55.29 -23.73 24.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.25 -1.147 . . . . 0.0 109.869 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -106.32 -9.97 16.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.422 -0.799 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.47 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.109 -0.994 . . . . 0.0 110.612 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.92 -27.15 67.98 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.344 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -68.36 76.13 0.26 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.238 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 176.79 -63.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 109.938 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.13 -56.63 18.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.481 -0.762 . . . . 0.0 110.51 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.91 -54.57 7.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.919 -0.488 . . . . 0.0 111.224 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -58.5 4.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.219 -0.925 . . . . 0.0 109.892 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.7 -30.59 14.15 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.657 -0.652 . . . . 0.0 110.617 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -61.23 1.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.468 -0.77 . . . . 0.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.23 -28.29 61.4 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -57.76 -67.93 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.331 -1.099 . . . . 0.0 110.34 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -21.77 40.54 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.32 -0.862 . . . . 0.0 110.325 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.35 -60.37 3.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.445 -0.784 . . . . 0.0 110.142 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.88 -38.5 56.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.617 -0.677 . . . . 0.0 110.485 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -73.01 -24.39 60.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.412 -0.805 . . . . 0.0 110.367 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.32 -60.76 2.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.305 -0.872 . . . . 0.0 110.467 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.37 -43.78 87.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.122 0.486 . . . . 0.0 110.265 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -57.28 -28.41 62.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.89 -29.25 50.17 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.552 -0.718 . . . . 0.0 110.209 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.415 -0.803 . . . . 0.0 110.218 -179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.437 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -53.15 -30.22 35.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.277 -1.131 . . . . 0.0 109.511 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.22 -25.19 20.73 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.625 -0.672 . . . . 0.0 109.918 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.94 -73.17 0.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.843 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -26.64 21.29 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.554 -0.716 . . . . 0.0 110.484 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -90.85 52.86 2.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.372 -0.83 . . . . 0.0 110.087 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.4 -63.17 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.399 -0.813 . . . . 0.0 109.8 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.27 48.91 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.784 0.802 . . . . 0.0 110.098 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.9 -51.21 5.62 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -59.58 2.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.317 -0.865 . . . . 0.0 109.73 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.06 -30.67 6.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.66 -0.65 . . . . 0.0 110.714 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -60.68 2.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.401 -0.812 . . . . 0.0 110.101 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.66 -38.23 95.4 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -67.25 0.28 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.243 -1.151 . . . . 0.0 110.37 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.54 -24.0 18.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.27 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.14 -61.9 2.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.589 -0.694 . . . . 0.0 110.171 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.88 -26.5 36.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.435 -0.791 . . . . 0.0 110.48 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.21 -26.22 66.23 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.326 -0.859 . . . . 0.0 110.184 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.28 -63.54 1.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.349 -0.844 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.24 -42.48 80.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 CA-C-O 121.241 0.543 . . . . 0.0 110.199 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -24.5 57.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.43 -29.28 19.15 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.478 -0.764 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.451 -0.78 . . . . 0.0 110.344 -179.847 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -26.61 15.77 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.319 -1.106 . . . . 0.0 109.941 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -100.16 -15.73 18.04 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.531 -0.731 . . . . 0.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.94 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.208 -0.932 . . . . 0.0 110.491 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.41 39.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.494 -0.754 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -97.48 62.88 1.73 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.55 -63.31 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.804 . . . . 0.0 109.879 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.83 -55.36 31.17 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.313 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.77 -52.24 8.61 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.056 0.455 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -59.21 3.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.875 . . . . 0.0 109.781 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.36 -31.25 14.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.634 -0.666 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.17 -61.65 1.69 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.383 -0.823 . . . . 0.0 110.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.73 -26.09 59.7 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.65 -67.37 0.31 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.269 -1.136 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.2 -22.85 19.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.244 -0.91 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -60.86 2.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.39 -43.26 64.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.462 -0.774 . . . . 0.0 110.501 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.63 -28.92 64.1 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.408 -0.808 . . . . 0.0 110.081 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.0 110.238 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.88 -41.69 80.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.19 0.519 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -27.71 60.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.326 -0.858 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.92 -29.0 49.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.521 -0.737 . . . . 0.0 110.163 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.495 -0.753 . . . . 0.0 110.182 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -52.99 -26.29 14.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.312 -1.111 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.31 -20.23 21.32 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.576 -0.703 . . . . 0.0 110.176 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.81 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.215 -0.928 . . . . 0.0 110.396 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.96 28.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.478 -0.763 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -80.29 82.93 6.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.453 -0.78 . . . . 0.0 110.003 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.35 -61.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 0.0 110.008 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.27 -56.67 11.76 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.663 0.744 . . . . 0.0 110.647 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.12 -48.81 17.19 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.864 -0.523 . . . . 0.0 110.966 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -58.7 3.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 109.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -32.38 26.06 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.538 -0.726 . . . . 0.0 110.566 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.95 -60.73 2.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 110.232 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.95 -24.27 26.55 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -53.04 -66.45 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.285 -1.126 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.46 13.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.313 -0.867 . . . . 0.0 110.603 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.79 -60.87 3.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.461 -0.774 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.87 -22.68 10.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.441 -0.787 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -90.67 23.57 3.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.193 -0.942 . . . . 0.0 110.403 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.54 -59.23 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 110.004 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.57 -44.61 89.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 CA-C-O 121.211 0.529 . . . . 0.0 110.131 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -29.91 58.79 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.43 -28.53 61.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.56 -0.712 . . . . 0.0 109.947 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.485 -0.759 . . . . 0.0 110.225 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -26.78 18.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.193 -1.18 . . . . 0.0 109.815 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.77 -16.99 19.63 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.583 -0.698 . . . . 0.0 110.367 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.5 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.169 -0.957 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -24.37 56.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.4 -0.812 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 89.27 7.6 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.5 -62.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -57.68 10.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.536 -0.728 . . . . 0.0 110.649 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.75 15.08 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.86 -0.525 . . . . 0.0 111.154 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -62.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.123 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.74 45.96 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.532 -0.73 . . . . 0.0 110.73 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -57.23 10.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 110.104 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.56 -34.74 20.84 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -59.69 -67.73 0.35 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.224 -1.163 . . . . 0.0 110.179 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.23 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.239 -0.913 . . . . 0.0 110.241 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.36 -61.07 2.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.416 -0.803 . . . . 0.0 110.089 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.73 -27.68 18.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.49 -0.756 . . . . 0.0 110.419 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.62 -17.62 64.17 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.338 -0.852 . . . . 0.0 110.333 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.36 1.83 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.301 -0.875 . . . . 0.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.04 -42.82 83.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.796 -0.565 . . . . 0.0 110.205 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -57.11 -27.35 61.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.356 -0.84 . . . . 0.0 110.332 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -78.11 -32.37 50.49 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.58 -0.7 . . . . 0.0 110.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.394 -0.817 . . . . 0.0 110.244 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -53.11 -26.15 15.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.346 -1.091 . . . . 0.0 109.748 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -96.66 -16.89 20.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.524 -0.735 . . . . 0.0 110.35 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.094 -1.004 . . . . 0.0 110.605 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -25.33 60.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.524 -0.735 . . . . 0.0 110.421 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.44 86.37 3.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.16 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.03 -62.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.423 -0.798 . . . . 0.0 109.994 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.85 -56.66 12.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.588 -0.695 . . . . 0.0 110.79 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.69 9.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.981 -0.449 . . . . 0.0 111.136 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -58.64 4.67 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.143 -0.973 . . . . 0.0 109.529 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.51 13.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.68 -0.637 . . . . 0.0 110.565 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 -61.54 1.73 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.381 -0.824 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.03 -24.46 62.97 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -55.57 -66.32 0.44 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.267 -1.137 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.302 -0.874 . . . . 0.0 110.398 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -62.02 2.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.507 -0.746 . . . . 0.0 110.151 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.59 -31.83 64.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.471 -0.768 . . . . 0.0 110.262 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.38 -26.77 65.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.402 -0.811 . . . . 0.0 110.17 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.41 -60.7 3.13 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.383 -0.823 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.66 -44.7 94.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.5 t -58.6 -33.03 69.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.266 -0.896 . . . . 0.0 110.409 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -33.9 69.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.545 -0.722 . . . . 0.0 110.046 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.432 -0.792 . . . . 0.0 110.169 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -52.63 -27.3 16.51 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.284 -1.127 . . . . 0.0 109.49 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.57 -22.39 23.57 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.621 -0.674 . . . . 0.0 110.041 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -71.53 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.2 -0.938 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.24 61.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.566 -0.709 . . . . 0.0 110.259 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 63.76 0.81 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.321 -0.862 . . . . 0.0 110.069 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 176.85 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.384 -0.822 . . . . 0.0 109.707 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.16 -55.22 37.77 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.691 0.758 . . . . 0.0 110.188 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.35 11.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.875 -0.515 . . . . 0.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -61.08 1.9 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.859 . . . . 0.0 109.851 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.98 -38.64 23.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.594 -0.691 . . . . 0.0 110.769 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -60.36 2.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 110.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.66 -31.05 60.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -66.85 0.32 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.206 -1.173 . . . . 0.0 110.237 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.69 -25.95 12.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.285 -0.884 . . . . 0.0 110.091 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.37 -62.52 1.55 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.582 -0.699 . . . . 0.0 109.927 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.4 -27.86 67.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.38 -0.825 . . . . 0.0 110.226 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -57.96 -21.89 46.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.43 -0.794 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.38 -70.49 0.42 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -0.928 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.2 -43.5 85.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 O-C-N 121.803 -0.56 . . . . 0.0 110.305 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 p -56.89 -28.04 61.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.342 -0.849 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 -32.27 59.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.568 -0.707 . . . . 0.0 110.111 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 110.117 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -53.13 -26.84 18.19 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -1.133 . . . . 0.0 109.73 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.84 -19.25 19.74 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.45 -0.781 . . . . 0.0 110.291 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.89 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.215 -0.928 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.09 -28.54 62.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.462 -0.774 . . . . 0.0 110.239 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.61 88.66 7.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.358 -0.839 . . . . 0.0 110.083 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.11 -62.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 109.944 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.84 -56.65 12.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.558 -0.714 . . . . 0.0 110.657 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.49 -47.19 19.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.895 -0.503 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -60.73 2.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.274 -0.891 . . . . 0.0 109.935 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -32.53 29.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.611 -0.681 . . . . 0.0 110.481 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.35 -60.53 2.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.369 -0.832 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.77 -25.3 36.17 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -67.26 0.36 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.388 -1.066 . . . . 0.0 110.261 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -22.74 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.342 -0.849 . . . . 0.0 110.333 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.28 -60.33 3.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 110.134 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.57 -24.44 8.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 110.604 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -86.64 51.89 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.293 -0.879 . . . . 0.0 110.136 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.13 -60.21 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.4 t -59.15 -45.33 92.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.225 0.536 . . . . 0.0 110.183 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -55.65 -30.16 60.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.869 . . . . 0.0 110.248 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.67 -29.17 62.15 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.529 -0.732 . . . . 0.0 110.0 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.43 -0.794 . . . . 0.0 110.184 179.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.4 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -27.04 20.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.348 -1.089 . . . . 0.0 109.651 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.61 -19.57 18.95 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.552 -0.718 . . . . 0.0 110.26 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.76 -76.93 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.435 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.98 63.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.558 -0.714 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 73.7 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 0.0 110.027 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.76 -61.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 109.896 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.32 -56.19 14.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.66 0.743 . . . . 0.0 110.485 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 -45.07 22.89 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.167 0.508 . . . . 0.0 110.929 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -59.61 2.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 110.011 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.38 39.05 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.553 -0.717 . . . . 0.0 110.755 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -61.21 1.88 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 110.123 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.8 -22.98 49.23 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -66.84 0.35 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.291 -1.123 . . . . 0.0 110.402 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -24.59 10.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.303 -0.873 . . . . 0.0 110.502 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.74 -61.54 2.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.503 -0.748 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.66 -24.52 14.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.449 -0.782 . . . . 0.0 110.637 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -86.83 52.46 2.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.313 -0.867 . . . . 0.0 110.076 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.67 -58.8 0.26 Allowed 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 121.768 0.794 . . . . 0.0 110.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.57 -45.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 CA-C-O 121.231 0.538 . . . . 0.0 110.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.6 t -58.82 -27.23 64.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.15 -31.16 38.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 110.24 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -53.69 -25.7 19.51 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.378 -1.072 . . . . 0.0 109.74 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.35 -20.08 16.7 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.623 -0.673 . . . . 0.0 110.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.86 -79.11 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 110.569 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.9 -27.4 51.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.442 -0.786 . . . . 0.0 110.546 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 63.59 4.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.289 -0.882 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.81 -63.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.862 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.26 -55.48 34.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.48 -0.763 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -53.51 6.07 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.089 0.471 . . . . 0.0 111.186 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -57.76 5.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.238 -0.914 . . . . 0.0 109.749 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.02 -29.38 12.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.661 -0.65 . . . . 0.0 110.551 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -59.56 3.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.472 -0.768 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -36.0 67.83 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -67.13 0.39 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.311 -1.111 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.56 -23.28 25.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.297 -0.877 . . . . 0.0 110.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -61.24 2.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.11 -24.4 17.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.426 -0.796 . . . . 0.0 110.506 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -36.47 71.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.288 -0.883 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.42 -61.3 1.89 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.82 -44.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.82 -0.55 . . . . 0.0 110.145 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -56.42 -28.6 59.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -28.85 60.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 110.025 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.793 . . . . 0.0 110.209 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -27.76 16.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.303 -1.116 . . . . 0.0 109.496 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.04 -24.32 22.36 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.586 -0.696 . . . . 0.0 110.009 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -72.66 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.29 -26.14 50.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.629 -0.669 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.8 63.99 3.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.841 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.02 -63.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.006 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.29 36.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.438 -0.789 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.57 9.49 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.956 -0.465 . . . . 0.0 111.257 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -62.06 1.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.911 . . . . 0.0 110.182 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.97 51.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.525 -0.734 . . . . 0.0 110.743 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -59.18 3.44 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.39 -39.95 52.92 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.42 -67.75 0.24 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.221 -1.164 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -24.05 28.75 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -62.18 1.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.486 -0.759 . . . . 0.0 110.157 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.08 -34.15 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.49 -0.756 . . . . 0.0 110.359 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -87.64 52.95 2.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 109.981 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.75 -59.58 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.828 0.823 . . . . 0.0 110.118 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.68 -45.97 90.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-O 121.244 0.545 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -28.66 65.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.439 -0.788 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -29.14 50.29 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.497 -0.752 . . . . 0.0 110.166 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.378 -0.826 . . . . 0.0 110.17 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.458 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -54.53 -25.07 23.54 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.296 -1.12 . . . . 0.0 109.725 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -100.32 -13.53 18.78 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.578 -0.701 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.25 -81.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.929 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -24.6 63.99 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.826 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -91.42 73.54 6.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.201 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.62 -62.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.379 -0.826 . . . . 0.0 109.965 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.34 -56.08 22.09 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.514 -0.741 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.06 -46.89 11.76 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.967 -0.458 . . . . 0.0 111.214 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -61.12 1.98 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.95 . . . . 0.0 110.03 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.64 44.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.53 -0.731 . . . . 0.0 110.686 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -60.5 2.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.369 -0.832 . . . . 0.0 110.259 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.42 -31.26 43.02 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -59.69 -68.29 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -1.093 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.46 38.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.68 -60.5 3.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.382 -0.824 . . . . 0.0 110.178 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.01 -27.58 14.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.0 110.408 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.95 13.34 16.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.361 -0.837 . . . . 0.0 110.461 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.14 -59.34 1.87 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.941 . . . . 0.0 110.082 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.35 -40.61 58.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.231 0.539 . . . . 0.0 110.139 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -28.49 66.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.452 -0.78 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -81.45 -33.21 32.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.492 -0.755 . . . . 0.0 110.221 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.392 -0.818 . . . . 0.0 110.343 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -53.41 -26.01 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -1.115 . . . . 0.0 109.682 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -97.46 -18.8 18.83 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.535 -0.728 . . . . 0.0 110.284 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.79 -78.5 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.172 -0.955 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.53 61.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.465 -0.772 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -76.02 69.06 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.59 -62.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.454 -0.779 . . . . 0.0 109.816 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -55.73 27.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.522 -0.736 . . . . 0.0 110.26 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.18 -55.85 7.73 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.957 -0.464 . . . . 0.0 110.938 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -56.07 9.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -0.911 . . . . 0.0 109.713 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -33.56 22.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.671 -0.643 . . . . 0.0 110.563 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -60.91 2.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.66 -23.98 38.36 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -53.87 -66.9 0.31 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.368 -1.078 . . . . 0.0 110.333 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.81 -25.3 11.02 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.229 -0.92 . . . . 0.0 110.348 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.18 -61.98 2.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.534 -0.729 . . . . 0.0 110.121 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.4 -30.4 52.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.427 -0.796 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -61.26 -26.13 67.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.391 -0.818 . . . . 0.0 110.226 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.58 -61.07 2.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.36 -45.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.859 -0.526 . . . . 0.0 110.233 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -56.81 -27.2 59.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.337 -0.852 . . . . 0.0 110.456 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.89 -35.25 26.34 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.498 -0.751 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.427 -0.796 . . . . 0.0 110.216 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.23 19.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.244 -1.151 . . . . 0.0 109.622 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -94.73 -19.69 20.16 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 121.492 -0.755 . . . . 0.0 110.236 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.73 -76.72 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.226 -0.921 . . . . 0.0 110.495 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.6 61.78 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.533 -0.73 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 85.01 2.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.36 -0.838 . . . . 0.0 110.221 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.78 -62.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.82 . . . . 0.0 109.96 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.92 -57.27 9.9 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.631 0.729 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.97 24.74 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.962 -0.461 . . . . 0.0 110.982 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -59.65 2.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 110.005 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.67 58.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.508 -0.745 . . . . 0.0 110.561 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.12 -58.88 4.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.51 -24.65 24.88 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -67.59 0.27 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.216 -1.167 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -22.96 25.48 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.207 -0.933 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.33 -60.55 3.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.16 -35.53 48.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.455 -0.778 . . . . 0.0 110.532 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.95 -31.68 68.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.35 -0.844 . . . . 0.0 110.093 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -59.89 3.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.7 t -54.42 -38.21 40.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.271 0.558 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -30.52 64.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.954 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.63 -29.45 56.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.644 -0.66 . . . . 0.0 109.888 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.497 -0.752 . . . . 0.0 110.125 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.42 145.6 4.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -1.088 . . . . 0.0 110.233 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.77 31.64 2.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.448 -0.783 . . . . 0.0 110.114 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m 52.16 -171.56 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.394 -0.816 . . . . 0.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -162.8 -47.11 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 110.228 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -117.26 66.33 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.37 -0.831 . . . . 0.0 109.975 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -109.29 -50.18 3.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.358 -0.839 . . . . 0.0 110.169 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.95 70.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.431 -0.793 . . . . 0.0 110.164 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.14 -54.44 7.77 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.713 -0.617 . . . . 0.0 110.325 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.48 -49.4 74.19 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.95 -25.95 13.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.31 -1.112 . . . . 0.0 109.577 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.02 -24.45 16.9 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.595 -0.691 . . . . 0.0 110.017 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -75.37 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.445 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.15 63.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.54 -0.725 . . . . 0.0 110.523 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -71.79 67.02 0.57 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.348 -0.845 . . . . 0.0 110.08 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.54 -62.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.907 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.62 -55.42 26.01 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.696 0.76 . . . . 0.0 110.461 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.16 -50.42 11.35 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -58.16 3.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.274 -0.891 . . . . 0.0 109.745 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -29.48 15.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.59 -0.694 . . . . 0.0 110.532 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.97 1.99 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.097 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.78 -23.78 51.55 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -55.79 -67.79 0.26 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -1.126 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.72 -23.89 19.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.251 -0.906 . . . . 0.0 110.252 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.85 -61.33 2.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.491 -0.755 . . . . 0.0 110.199 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.59 -43.86 72.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.432 -0.792 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -61.97 -27.56 68.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.338 -0.851 . . . . 0.0 110.17 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.85 -68.2 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.377 -0.827 . . . . 0.0 110.238 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.07 -44.07 86.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.777 -0.577 . . . . 0.0 110.073 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -57.98 -21.0 42.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.0 110.5 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -88.1 -24.7 23.33 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.47 -0.769 . . . . 0.0 110.419 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.81 -30.29 32.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.408 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.467 HG12 ' HN1' ' A' ' 34' ' ' NH2 . 10.7 p -55.32 -43.39 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.388 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . 0.467 ' HN1' HG12 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.307 -1.273 0 CA-C-N 119.42 1.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tp -81.76 92.92 6.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.403 -1.057 . . . . 0.0 110.137 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 52.31 51.49 16.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.358 -0.839 . . . . 0.0 110.452 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 t -104.86 -27.68 11.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -33.19 75.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.238 -0.914 . . . . 0.0 110.148 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 tp -96.47 -19.5 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.453 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -55.86 -48.08 76.16 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.26 -0.9 . . . . 0.0 110.421 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.56 -27.53 67.02 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.03 -57.54 10.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.673 -0.642 . . . . 0.0 110.477 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.37 -51.27 57.64 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -53.25 -25.86 15.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.327 -1.102 . . . . 0.0 109.643 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -20.13 19.5 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.291 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.03 -76.76 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.209 -0.932 . . . . 0.0 110.326 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.72 -22.68 37.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.453 -0.779 . . . . 0.0 110.294 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -82.73 64.07 7.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.072 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.74 -62.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.377 -0.827 . . . . 0.0 109.775 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.06 -56.07 18.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.539 -0.726 . . . . 0.0 110.443 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.32 -50.94 15.62 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.97 -0.456 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -60.74 2.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.02 -39.32 26.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.622 -0.674 . . . . 0.0 110.591 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.6 -59.68 2.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 110.063 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.57 -38.32 80.44 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.27 -67.37 0.28 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.254 -1.145 . . . . 0.0 110.197 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.26 -23.51 23.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.302 -0.874 . . . . 0.0 110.32 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.89 -61.5 2.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 110.125 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.59 -27.95 19.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.412 -0.805 . . . . 0.0 110.421 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -75.84 -33.08 60.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.369 -0.832 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.95 -45.5 92.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 121.195 0.522 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 m -58.8 -28.02 65.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.87 -29.04 55.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.724 . . . . 0.0 110.176 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.18 -45.96 86.08 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.348 -0.845 . . . . 0.0 110.2 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.75 -42.64 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.195 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 CA-C-N 119.4 1.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.58 -21.95 59.22 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.317 -1.108 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -67.53 77.06 0.18 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.341 -0.849 . . . . 0.0 110.074 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 p -127.57 179.68 5.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 110.167 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -70.03 163.48 26.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.338 -0.851 . . . . 0.0 110.049 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mt -95.17 18.48 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.359 -0.838 . . . . 0.0 110.374 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -78.48 -40.8 34.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.241 -0.912 . . . . 0.0 110.147 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.71 -26.84 12.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.4 -0.812 . . . . 0.0 110.369 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.33 -24.15 18.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.656 -0.653 . . . . 0.0 110.575 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.83 -48.86 84.12 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.84 -28.13 21.49 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.378 -1.072 . . . . 0.0 109.755 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.1 -20.68 19.09 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.531 -0.731 . . . . 0.0 110.162 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.1 -90.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.275 -0.891 . . . . 0.0 110.32 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.06 64.82 0.54 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.15 -0.969 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -162.45 77.32 0.48 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.273 -0.892 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 177.18 -62.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.857 . . . . 0.0 109.97 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.05 -56.34 20.93 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.611 0.719 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.02 -45.36 10.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.949 -0.469 . . . . 0.0 111.243 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -61.97 1.63 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.0 110.052 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.63 51.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.542 -0.724 . . . . 0.0 110.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -61.09 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.378 -0.826 . . . . 0.0 110.18 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.22 -27.25 31.25 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -59.94 -67.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.323 -1.104 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -22.29 28.41 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.427 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.23 -60.7 3.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.8 . . . . 0.0 110.224 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.9 -46.04 64.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.543 -0.723 . . . . 0.0 110.5 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -65.35 -28.37 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.65 -65.87 0.62 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.346 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.97 -45.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-O 121.28 0.562 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 t -56.71 -28.3 60.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.363 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.79 -31.7 57.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 110.185 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.41 96.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.347 -0.846 . . . . 0.0 110.223 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -57.4 -53.72 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.227 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 CA-C-N 119.433 1.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.2 mt -97.8 -174.36 2.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.408 -1.054 . . . . 0.0 110.213 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -160.26 39.97 0.18 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 110.172 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -148.47 48.0 1.03 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.441 -0.787 . . . . 0.0 110.116 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -84.79 -178.28 6.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.419 -0.801 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -122.88 -40.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.309 -0.869 . . . . 0.0 110.18 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -63.43 1.38 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.356 -0.84 . . . . 0.0 110.26 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.8 66.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 110.338 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.17 -37.98 62.39 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.667 -0.646 . . . . 0.0 110.437 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.46 59.54 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -26.05 18.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.312 -1.11 . . . . 0.0 109.87 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.56 -16.1 17.6 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.556 -0.715 . . . . 0.0 110.443 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.04 -80.83 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.179 -0.951 . . . . 0.0 110.391 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.23 -22.89 61.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.383 -0.823 . . . . 0.0 110.175 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.4 65.87 3.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.166 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.6 -63.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 109.904 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.23 27.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 110.372 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.51 -46.55 13.94 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.987 -0.446 . . . . 0.0 111.122 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -62.5 1.49 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.227 -0.921 . . . . 0.0 110.166 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.77 -41.02 61.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.496 -0.752 . . . . 0.0 110.796 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.54 -60.05 2.7 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.243 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.23 -37.13 46.52 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -68.17 0.23 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -1.133 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.83 28.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.24 -61.38 2.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.119 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.91 -25.28 11.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.413 -0.804 . . . . 0.0 110.491 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -60.97 -31.93 71.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -60.87 2.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.19 -43.15 81.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 O-C-N 121.76 -0.587 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -57.31 -28.33 62.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.387 -0.821 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.46 -28.71 56.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.077 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.95 -55.5 5.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.423 -0.798 . . . . 0.0 110.193 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.09 -18.72 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.364 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 CA-C-N 119.442 1.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.9 tp -86.33 74.1 10.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -1.096 . . . . 0.0 110.132 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.33 91.24 0.37 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.85 . . . . 0.0 110.091 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -141.99 -47.95 0.36 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.342 -0.849 . . . . 0.0 110.251 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -61.66 138.8 58.33 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.313 -0.867 . . . . 0.0 110.213 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -116.25 -62.39 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.347 -0.846 . . . . 0.0 110.169 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -33.03 74.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.409 -0.807 . . . . 0.0 110.044 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.91 -25.97 22.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.447 -0.783 . . . . 0.0 110.26 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.18 -29.61 23.08 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.658 -0.651 . . . . 0.0 110.507 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.04 -48.93 80.01 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -53.99 -25.75 22.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.3 -1.117 . . . . 0.0 109.641 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.82 -18.24 22.23 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.319 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.75 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.287 -0.883 . . . . 0.0 110.476 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.51 57.21 2.36 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.484 -0.76 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.44 54.14 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.045 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.87 -63.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.363 -0.835 . . . . 0.0 109.763 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.07 -53.97 45.85 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.759 0.79 . . . . 0.0 110.205 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.29 -52.68 9.39 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.039 0.447 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -60.09 2.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.324 -0.86 . . . . 0.0 109.982 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.19 26.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.595 -0.69 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.02 -61.1 1.89 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.84 . . . . 0.0 110.173 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.68 -27.88 44.28 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -56.96 -67.26 0.33 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.272 -1.134 . . . . 0.0 110.203 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.81 -23.34 29.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 110.238 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.43 -61.68 2.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.7 -34.42 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.518 -0.739 . . . . 0.0 110.403 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.89 73.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.355 -0.841 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -61.25 2.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.233 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.22 -41.9 78.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.822 -0.549 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 t -56.91 -24.68 54.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.09 -26.89 33.23 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.4 -0.813 . . . . 0.0 110.236 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.31 -46.94 16.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 HG23 ' HN1' ' A' ' 34' ' ' NH2 . 34.5 m -56.44 -47.48 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.383 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . 0.432 ' HN1' HG23 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.364 0 CA-C-N 119.453 1.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mp -129.44 175.01 9.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.371 -1.076 . . . . 0.0 110.32 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -82.36 150.71 27.02 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.417 -0.802 . . . . 0.0 110.138 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -113.09 74.71 0.88 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.337 -0.852 . . . . 0.0 110.252 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.97 -173.9 2.96 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.333 -0.854 . . . . 0.0 110.234 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 mt -126.91 -34.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.833 . . . . 0.0 110.325 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -60.61 -66.21 0.56 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.342 -0.849 . . . . 0.0 110.675 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.79 36.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.28 -0.888 . . . . 0.0 110.589 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.21 -23.13 33.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.566 -0.709 . . . . 0.0 110.66 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.24 -51.55 54.05 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -25.94 14.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -1.084 . . . . 0.0 109.834 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -99.86 -16.25 18.1 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.51 -0.744 . . . . 0.0 110.47 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.74 -81.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.181 -0.949 . . . . 0.0 110.436 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.11 66.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.468 -0.77 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.6 78.26 4.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.6 -62.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.355 -0.841 . . . . 0.0 109.936 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -56.77 13.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.498 -0.751 . . . . 0.0 110.52 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.69 -51.24 16.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.872 -0.517 . . . . 0.0 111.001 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -57.75 3.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.363 -0.835 . . . . 0.0 109.919 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.26 -30.19 16.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.557 -0.714 . . . . 0.0 110.702 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -60.95 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.305 -0.872 . . . . 0.0 110.09 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.72 -24.5 60.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -57.23 -66.51 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.288 -1.125 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -24.23 12.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.187 -0.945 . . . . 0.0 110.354 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.04 -61.23 2.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.485 -0.76 . . . . 0.0 110.15 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.1 -31.68 61.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.501 -0.749 . . . . 0.0 110.485 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -25.45 66.69 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.382 -0.824 . . . . 0.0 110.293 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -60.95 3.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 110.415 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.14 -45.73 92.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.758 -0.589 . . . . 0.0 110.073 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -25.68 60.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.324 -0.86 . . . . 0.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.58 -33.75 41.4 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.595 -0.691 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.22 -26.98 68.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.452 -0.78 . . . . 0.0 110.248 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.7 t -56.37 -76.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.365 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 CA-C-N 119.414 1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.55 39.88 3.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.366 -1.079 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 -49.53 4.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.362 -0.836 . . . . 0.0 110.178 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 t -76.28 106.53 7.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.386 -0.821 . . . . 0.0 110.198 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.54 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.353 -0.842 . . . . 0.0 110.084 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.62 -39.28 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 110.095 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -27.51 67.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.312 -0.868 . . . . 0.0 110.225 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.28 -26.43 14.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.316 -0.865 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.67 -25.0 16.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.632 -0.668 . . . . 0.0 110.501 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.58 -47.85 86.14 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -55.29 -23.73 24.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.25 -1.147 . . . . 0.0 109.869 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -106.32 -9.97 16.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.422 -0.799 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.47 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.109 -0.994 . . . . 0.0 110.612 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.92 -27.15 67.98 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.344 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -68.36 76.13 0.26 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.238 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 176.79 -63.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 109.938 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.13 -56.63 18.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.481 -0.762 . . . . 0.0 110.51 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.91 -54.57 7.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.919 -0.488 . . . . 0.0 111.224 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -58.5 4.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.219 -0.925 . . . . 0.0 109.892 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.7 -30.59 14.15 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.657 -0.652 . . . . 0.0 110.617 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -61.23 1.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.468 -0.77 . . . . 0.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.23 -28.29 61.4 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -57.76 -67.93 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.331 -1.099 . . . . 0.0 110.34 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -21.77 40.54 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.32 -0.862 . . . . 0.0 110.325 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.35 -60.37 3.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.445 -0.784 . . . . 0.0 110.142 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.88 -38.5 56.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.617 -0.677 . . . . 0.0 110.485 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -73.01 -24.39 60.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.412 -0.805 . . . . 0.0 110.367 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.32 -60.76 2.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.305 -0.872 . . . . 0.0 110.467 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.37 -43.78 87.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.122 0.486 . . . . 0.0 110.265 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -57.28 -28.41 62.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.89 -29.25 50.17 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.552 -0.718 . . . . 0.0 110.209 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 -53.81 6.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.415 -0.803 . . . . 0.0 110.218 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.53 -60.77 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.33 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 CA-C-N 119.392 0.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.72 139.4 34.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.344 -1.092 . . . . 0.0 110.172 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 32.2 p90 -70.63 -178.06 1.71 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.302 -0.874 . . . . 0.0 110.242 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -164.14 45.48 0.11 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.314 -0.866 . . . . 0.0 110.358 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -133.83 177.16 7.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.845 . . . . 0.0 110.147 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.2 mt -104.26 56.14 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.436 -0.79 . . . . 0.0 110.222 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -100.77 -68.57 0.81 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.069 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.1 -28.45 13.74 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.418 -0.801 . . . . 0.0 110.073 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.66 -18.35 59.17 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.738 -0.601 . . . . 0.0 110.442 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.8 -47.15 66.09 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -53.15 -30.22 35.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.277 -1.131 . . . . 0.0 109.511 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.22 -25.19 20.73 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.625 -0.672 . . . . 0.0 109.918 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.94 -73.17 0.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.843 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -26.64 21.29 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.554 -0.716 . . . . 0.0 110.484 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -90.85 52.86 2.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.372 -0.83 . . . . 0.0 110.087 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.4 -63.17 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.399 -0.813 . . . . 0.0 109.8 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.27 48.91 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.784 0.802 . . . . 0.0 110.098 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.9 -51.21 5.62 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -59.58 2.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.317 -0.865 . . . . 0.0 109.73 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.06 -30.67 6.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.66 -0.65 . . . . 0.0 110.714 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -60.68 2.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.401 -0.812 . . . . 0.0 110.101 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.66 -38.23 95.4 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -67.25 0.28 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.243 -1.151 . . . . 0.0 110.37 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.54 -24.0 18.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.27 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.14 -61.9 2.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.589 -0.694 . . . . 0.0 110.171 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.88 -26.5 36.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.435 -0.791 . . . . 0.0 110.48 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.21 -26.22 66.23 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.326 -0.859 . . . . 0.0 110.184 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.28 -63.54 1.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.349 -0.844 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.24 -42.48 80.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 CA-C-O 121.241 0.543 . . . . 0.0 110.199 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -24.5 57.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.43 -29.28 19.15 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.478 -0.764 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.39 -33.87 18.97 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.451 -0.78 . . . . 0.0 110.344 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 p -54.68 -19.47 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.467 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 CA-C-N 119.375 0.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.94 9.03 26.47 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.374 -1.074 . . . . 0.0 110.589 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -88.43 -35.34 17.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.218 -0.927 . . . . 0.0 110.088 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.24 160.89 11.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 110.117 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -158.7 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.318 -0.864 . . . . 0.0 110.056 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.9 mt -101.4 -28.27 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.251 -0.906 . . . . 0.0 110.156 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -65.63 -65.18 0.71 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 0.0 110.171 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -27.35 68.63 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.381 -0.824 . . . . 0.0 110.297 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.22 -24.93 57.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.713 -0.617 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.28 -51.47 52.39 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -26.61 15.77 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.319 -1.106 . . . . 0.0 109.941 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -100.16 -15.73 18.04 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.531 -0.731 . . . . 0.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.94 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.208 -0.932 . . . . 0.0 110.491 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.41 39.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.494 -0.754 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -97.48 62.88 1.73 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.55 -63.31 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.804 . . . . 0.0 109.879 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.83 -55.36 31.17 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.313 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.77 -52.24 8.61 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.056 0.455 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -59.21 3.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.875 . . . . 0.0 109.781 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.36 -31.25 14.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.634 -0.666 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.17 -61.65 1.69 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.383 -0.823 . . . . 0.0 110.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.73 -26.09 59.7 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.65 -67.37 0.31 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.269 -1.136 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.2 -22.85 19.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.244 -0.91 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.16 -60.86 2.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.39 -43.26 64.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.462 -0.774 . . . . 0.0 110.501 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.63 -28.92 64.1 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.408 -0.808 . . . . 0.0 110.081 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.0 110.238 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.88 -41.69 80.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.19 0.519 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -27.71 60.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.326 -0.858 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.92 -29.0 49.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.521 -0.737 . . . . 0.0 110.163 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.47 -52.69 8.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.495 -0.753 . . . . 0.0 110.182 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.441 HG11 ' HN1' ' A' ' 34' ' ' NH2 . 11.0 p -56.38 -43.47 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.353 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . 0.441 ' HN1' HG11 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 119.417 1.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.35 -165.41 1.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -1.107 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -95.89 41.31 1.1 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.396 -0.815 . . . . 0.0 110.07 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 t -146.17 120.35 9.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.391 -0.818 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -101.43 -63.85 1.1 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.374 -0.829 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.9 mt -124.36 58.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.307 -0.871 . . . . 0.0 110.157 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -122.58 -39.51 2.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.369 -0.832 . . . . 0.0 110.216 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.1 -26.6 12.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.375 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 -37.02 64.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.662 -0.649 . . . . 0.0 110.572 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.17 89.12 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -52.99 -26.29 14.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.312 -1.111 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.31 -20.23 21.32 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.576 -0.703 . . . . 0.0 110.176 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.81 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.215 -0.928 . . . . 0.0 110.396 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.96 28.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.478 -0.763 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -80.29 82.93 6.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.453 -0.78 . . . . 0.0 110.003 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.35 -61.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 0.0 110.008 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.27 -56.67 11.76 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.663 0.744 . . . . 0.0 110.647 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.12 -48.81 17.19 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.864 -0.523 . . . . 0.0 110.966 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -58.7 3.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 109.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -32.38 26.06 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.538 -0.726 . . . . 0.0 110.566 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.95 -60.73 2.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 110.232 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.95 -24.27 26.55 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -53.04 -66.45 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.285 -1.126 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.46 13.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.313 -0.867 . . . . 0.0 110.603 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.79 -60.87 3.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.461 -0.774 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.87 -22.68 10.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.441 -0.787 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -90.67 23.57 3.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.193 -0.942 . . . . 0.0 110.403 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.54 -59.23 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 110.004 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.57 -44.61 89.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 CA-C-O 121.211 0.529 . . . . 0.0 110.131 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -29.91 58.79 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.43 -28.53 61.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.56 -0.712 . . . . 0.0 109.947 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.35 -63.51 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.485 -0.759 . . . . 0.0 110.225 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.608 ' CG2' ' HN1' ' A' ' 34' ' ' NH2 . 27.1 m -57.77 -96.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.454 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . 0.608 ' HN1' ' CG2' ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.313 -1.02 0 CA-C-N 123.031 2.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.03 -166.94 1.8 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.402 -1.057 . . . . 0.0 110.184 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -118.81 173.85 6.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.389 -0.819 . . . . 0.0 110.173 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.8 p -114.65 113.31 24.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.12 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.31 -172.63 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.366 -0.834 . . . . 0.0 110.45 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.1 mt -123.49 -37.83 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.401 -0.812 . . . . 0.0 110.18 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -60.28 -37.62 81.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.417 -0.802 . . . . 0.0 110.294 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.78 -27.11 19.11 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.365 -0.834 . . . . 0.0 110.224 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.26 -25.32 33.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.664 -0.647 . . . . 0.0 110.497 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.64 49.58 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -26.78 18.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.193 -1.18 . . . . 0.0 109.815 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.77 -16.99 19.63 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.583 -0.698 . . . . 0.0 110.367 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.5 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.169 -0.957 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -24.37 56.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.4 -0.812 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.13 89.27 7.6 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.5 -62.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -57.68 10.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.536 -0.728 . . . . 0.0 110.649 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.75 15.08 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.86 -0.525 . . . . 0.0 111.154 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -62.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.123 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.74 45.96 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.532 -0.73 . . . . 0.0 110.73 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.78 -57.23 10.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 110.104 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.56 -34.74 20.84 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -59.69 -67.73 0.35 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.224 -1.163 . . . . 0.0 110.179 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.23 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.239 -0.913 . . . . 0.0 110.241 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.36 -61.07 2.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.416 -0.803 . . . . 0.0 110.089 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.73 -27.68 18.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.49 -0.756 . . . . 0.0 110.419 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.62 -17.62 64.17 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.338 -0.852 . . . . 0.0 110.333 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.36 1.83 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.301 -0.875 . . . . 0.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.04 -42.82 83.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.796 -0.565 . . . . 0.0 110.205 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -57.11 -27.35 61.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.356 -0.84 . . . . 0.0 110.332 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -78.11 -32.37 50.49 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.58 -0.7 . . . . 0.0 110.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.18 -55.61 10.1 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.394 -0.817 . . . . 0.0 110.244 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.66 -15.03 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 CA-C-N 119.412 1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.04 165.38 20.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.375 -1.074 . . . . 0.0 110.144 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.14 163.05 40.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.831 . . . . 0.0 110.17 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.6 p -139.52 46.22 1.91 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.471 -0.768 . . . . 0.0 110.154 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -120.14 -174.02 2.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.341 -0.85 . . . . 0.0 110.209 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.6 mt -108.15 65.47 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.377 -0.827 . . . . 0.0 110.088 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.71 -55.27 1.14 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.405 -0.81 . . . . 0.0 110.197 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.11 -26.11 29.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.414 -0.804 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.65 -34.7 39.08 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.577 -0.702 . . . . 0.0 110.611 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -50.92 55.68 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -53.11 -26.15 15.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.346 -1.091 . . . . 0.0 109.748 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -96.66 -16.89 20.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.524 -0.735 . . . . 0.0 110.35 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.094 -1.004 . . . . 0.0 110.605 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -25.33 60.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.524 -0.735 . . . . 0.0 110.421 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.44 86.37 3.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.16 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.03 -62.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.423 -0.798 . . . . 0.0 109.994 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.85 -56.66 12.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.588 -0.695 . . . . 0.0 110.79 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.69 9.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.981 -0.449 . . . . 0.0 111.136 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -58.64 4.67 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.143 -0.973 . . . . 0.0 109.529 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.51 13.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.68 -0.637 . . . . 0.0 110.565 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 -61.54 1.73 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.381 -0.824 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.03 -24.46 62.97 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -55.57 -66.32 0.44 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.267 -1.137 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.302 -0.874 . . . . 0.0 110.398 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -62.02 2.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.507 -0.746 . . . . 0.0 110.151 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.59 -31.83 64.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.471 -0.768 . . . . 0.0 110.262 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.38 -26.77 65.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.402 -0.811 . . . . 0.0 110.17 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.41 -60.7 3.13 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.383 -0.823 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.66 -44.7 94.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.5 t -58.6 -33.03 69.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.266 -0.896 . . . . 0.0 110.409 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -33.9 69.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.545 -0.722 . . . . 0.0 110.046 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -26.33 68.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.432 -0.792 . . . . 0.0 110.169 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.5 t -56.31 -75.89 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 CA-C-N 119.409 1.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.66 69.54 0.68 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.408 -1.054 . . . . 0.0 110.477 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.1 t90 52.44 88.45 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.314 -0.866 . . . . 0.0 110.515 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -142.78 165.58 27.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.387 -0.82 . . . . 0.0 110.168 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -84.32 151.91 24.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 110.313 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.2 mm -101.89 59.24 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.35 -0.843 . . . . 0.0 110.16 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -45.13 4.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.1 -25.74 14.82 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.365 -0.834 . . . . 0.0 110.353 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.89 -32.14 19.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.709 -0.619 . . . . 0.0 110.587 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.57 -50.73 19.02 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -52.63 -27.3 16.51 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.284 -1.127 . . . . 0.0 109.49 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.57 -22.39 23.57 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.621 -0.674 . . . . 0.0 110.041 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -71.53 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.2 -0.938 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.24 61.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.566 -0.709 . . . . 0.0 110.259 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 63.76 0.81 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.321 -0.862 . . . . 0.0 110.069 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 176.85 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.384 -0.822 . . . . 0.0 109.707 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.16 -55.22 37.77 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.691 0.758 . . . . 0.0 110.188 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.35 11.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.875 -0.515 . . . . 0.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -61.08 1.9 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.859 . . . . 0.0 109.851 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.98 -38.64 23.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.594 -0.691 . . . . 0.0 110.769 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -60.36 2.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 110.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.66 -31.05 60.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -66.85 0.32 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.206 -1.173 . . . . 0.0 110.237 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.69 -25.95 12.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.285 -0.884 . . . . 0.0 110.091 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.37 -62.52 1.55 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.582 -0.699 . . . . 0.0 109.927 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.4 -27.86 67.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.38 -0.825 . . . . 0.0 110.226 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -57.96 -21.89 46.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.43 -0.794 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.38 -70.49 0.42 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -0.928 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.2 -43.5 85.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 O-C-N 121.803 -0.56 . . . . 0.0 110.305 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 p -56.89 -28.04 61.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.342 -0.849 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 -32.27 59.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.568 -0.707 . . . . 0.0 110.111 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.98 79.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 110.117 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.4 t -57.96 -23.49 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 CA-C-N 119.433 1.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.459 -1.457 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 tp 52.67 66.96 1.07 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.412 -1.052 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.88 -165.69 1.3 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.178 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.59 113.49 21.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -121.47 -68.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.35 -0.844 . . . . 0.0 110.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 6' ' ' ILE . 81.1 mt -104.93 48.13 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.423 -0.798 . . . . 0.0 110.073 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.51 -32.47 7.69 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.827 . . . . 0.0 110.168 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.0 -26.56 20.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.401 -0.812 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.66 69.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.675 -0.641 . . . . 0.0 110.423 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.96 70.7 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -53.13 -26.84 18.19 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -1.133 . . . . 0.0 109.73 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.84 -19.25 19.74 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.45 -0.781 . . . . 0.0 110.291 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.89 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.215 -0.928 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.09 -28.54 62.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.462 -0.774 . . . . 0.0 110.239 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.61 88.66 7.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.358 -0.839 . . . . 0.0 110.083 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.11 -62.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 109.944 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.84 -56.65 12.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.558 -0.714 . . . . 0.0 110.657 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.49 -47.19 19.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.895 -0.503 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -60.73 2.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.274 -0.891 . . . . 0.0 109.935 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -32.53 29.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.611 -0.681 . . . . 0.0 110.481 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.35 -60.53 2.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.369 -0.832 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.77 -25.3 36.17 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -67.26 0.36 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.388 -1.066 . . . . 0.0 110.261 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -22.74 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.342 -0.849 . . . . 0.0 110.333 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.28 -60.33 3.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 110.134 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.57 -24.44 8.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 110.604 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -86.64 51.89 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.293 -0.879 . . . . 0.0 110.136 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.13 -60.21 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.4 t -59.15 -45.33 92.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.225 0.536 . . . . 0.0 110.183 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -55.65 -30.16 60.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.869 . . . . 0.0 110.248 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.67 -29.17 62.15 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.529 -0.732 . . . . 0.0 110.0 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.49 -57.18 4.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.43 -0.794 . . . . 0.0 110.184 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.4 m -56.66 -15.51 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 119.378 0.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.6 tt -114.25 89.05 3.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.335 -1.097 . . . . 0.0 110.205 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -136.0 24.6 3.31 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.825 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.6 t 51.99 26.23 3.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.275 -0.89 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.05 -166.39 1.12 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.372 -0.83 . . . . 0.0 110.187 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 tp -92.27 50.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 0.0 110.368 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -92.23 -55.74 3.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.367 -0.833 . . . . 0.0 110.002 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.27 -27.17 12.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 0.0 110.153 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.59 -30.96 63.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.735 -0.603 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.62 -49.93 71.54 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -27.04 20.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.348 -1.089 . . . . 0.0 109.651 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.61 -19.57 18.95 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.552 -0.718 . . . . 0.0 110.26 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.76 -76.93 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.435 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.98 63.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.558 -0.714 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 73.7 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 0.0 110.027 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.76 -61.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 109.896 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.32 -56.19 14.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.66 0.743 . . . . 0.0 110.485 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 -45.07 22.89 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.167 0.508 . . . . 0.0 110.929 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -59.61 2.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 110.011 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.38 39.05 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.553 -0.717 . . . . 0.0 110.755 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -61.21 1.88 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 110.123 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.8 -22.98 49.23 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -66.84 0.35 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.291 -1.123 . . . . 0.0 110.402 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -24.59 10.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.303 -0.873 . . . . 0.0 110.502 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.74 -61.54 2.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.503 -0.748 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mp -53.66 -24.52 14.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.449 -0.782 . . . . 0.0 110.637 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -86.83 52.46 2.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.313 -0.867 . . . . 0.0 110.076 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.67 -58.8 0.26 Allowed 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 121.768 0.794 . . . . 0.0 110.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.57 -45.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 CA-C-O 121.231 0.538 . . . . 0.0 110.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.6 t -58.82 -27.23 64.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.15 -31.16 38.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.465 ' C ' ' HN1' ' A' ' 34' ' ' NH2 . . . -73.41 -50.64 20.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 110.24 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.15 -3.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.569 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . 0.465 ' HN1' ' C ' ' A' ' 32' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 119.406 1.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.1 -73.03 0.13 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.347 -1.09 . . . . 0.0 110.134 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -73.46 145.84 45.41 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -59.53 140.89 55.89 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.37 -0.831 . . . . 0.0 110.232 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.47 -178.96 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.358 -0.839 . . . . 0.0 110.453 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.6 mt -96.02 65.0 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.428 -0.795 . . . . 0.0 110.15 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -31.3 11.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.326 -0.859 . . . . 0.0 110.133 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.54 -27.6 12.26 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.311 -0.868 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.56 -23.33 26.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.646 -0.659 . . . . 0.0 110.445 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.41 -48.72 84.61 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -53.69 -25.7 19.51 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.378 -1.072 . . . . 0.0 109.74 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.35 -20.08 16.7 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.623 -0.673 . . . . 0.0 110.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.86 -79.11 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 110.569 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.9 -27.4 51.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.442 -0.786 . . . . 0.0 110.546 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 63.59 4.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.289 -0.882 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.81 -63.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.862 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.26 -55.48 34.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.48 -0.763 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -53.51 6.07 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.089 0.471 . . . . 0.0 111.186 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -57.76 5.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.238 -0.914 . . . . 0.0 109.749 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.02 -29.38 12.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.661 -0.65 . . . . 0.0 110.551 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -59.56 3.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.472 -0.768 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.34 -36.0 67.83 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -67.13 0.39 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.311 -1.111 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.56 -23.28 25.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.297 -0.877 . . . . 0.0 110.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.29 -61.24 2.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.11 -24.4 17.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.426 -0.796 . . . . 0.0 110.506 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -36.47 71.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.288 -0.883 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.42 -61.3 1.89 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.82 -44.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.82 -0.55 . . . . 0.0 110.145 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -56.42 -28.6 59.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -28.85 60.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 110.025 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.39 -36.96 74.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.793 . . . . 0.0 110.209 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -56.82 -72.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.266 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 CA-C-N 119.4 1.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mp -119.67 31.48 6.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.376 -1.073 . . . . 0.0 110.232 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.9 107.57 4.73 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.407 -0.808 . . . . 0.0 110.059 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -118.94 103.37 9.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.0 110.181 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -82.32 -25.87 33.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 0.0 110.295 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.19 -25.85 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.326 -0.859 . . . . 0.0 110.245 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -58.09 -34.18 69.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.387 -0.821 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.17 -26.48 26.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.325 -0.859 . . . . 0.0 110.236 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.6 -29.38 37.41 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.666 -0.646 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.73 -49.01 58.29 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -27.76 16.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.303 -1.116 . . . . 0.0 109.496 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.04 -24.32 22.36 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.586 -0.696 . . . . 0.0 110.009 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -72.66 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.29 -26.14 50.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.629 -0.669 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.8 63.99 3.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.841 . . . . 0.0 110.284 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.02 -63.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.006 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.29 36.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.438 -0.789 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.57 9.49 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.956 -0.465 . . . . 0.0 111.257 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -62.06 1.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.911 . . . . 0.0 110.182 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.97 51.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.525 -0.734 . . . . 0.0 110.743 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -59.18 3.44 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.39 -39.95 52.92 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.42 -67.75 0.24 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.221 -1.164 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -24.05 28.75 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.26 -62.18 1.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.486 -0.759 . . . . 0.0 110.157 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.08 -34.15 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.49 -0.756 . . . . 0.0 110.359 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -87.64 52.95 2.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 109.981 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.75 -59.58 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.828 0.823 . . . . 0.0 110.118 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.68 -45.97 90.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-O 121.244 0.545 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -28.66 65.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.439 -0.788 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -29.14 50.29 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.497 -0.752 . . . . 0.0 110.166 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.73 -53.39 9.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.378 -0.826 . . . . 0.0 110.17 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.57 -14.95 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.461 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 CA-C-N 119.415 1.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 125.57 25.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.448 -1.031 . . . . 0.0 110.109 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -81.24 149.72 28.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.304 -0.873 . . . . 0.0 110.191 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -64.48 99.03 0.28 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -91.78 -33.64 14.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.355 -0.841 . . . . 0.0 110.268 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 mt -108.15 78.4 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.417 -0.802 . . . . 0.0 110.085 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -125.95 -62.54 1.17 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.344 -0.848 . . . . 0.0 110.23 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.39 -26.62 26.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.366 -0.834 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.72 16.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.629 -0.669 . . . . 0.0 110.665 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.35 -50.83 62.61 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -54.53 -25.07 23.54 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.296 -1.12 . . . . 0.0 109.725 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -100.32 -13.53 18.78 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.578 -0.701 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.25 -81.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.929 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -24.6 63.99 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.826 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -91.42 73.54 6.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.201 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.62 -62.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.379 -0.826 . . . . 0.0 109.965 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.34 -56.08 22.09 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.514 -0.741 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.06 -46.89 11.76 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.967 -0.458 . . . . 0.0 111.214 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -61.12 1.98 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.95 . . . . 0.0 110.03 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.64 44.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.53 -0.731 . . . . 0.0 110.686 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -60.5 2.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.369 -0.832 . . . . 0.0 110.259 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.42 -31.26 43.02 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -59.69 -68.29 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -1.093 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.46 38.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.68 -60.5 3.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.382 -0.824 . . . . 0.0 110.178 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -52.01 -27.58 14.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.0 110.408 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.95 13.34 16.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.361 -0.837 . . . . 0.0 110.461 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.14 -59.34 1.87 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.941 . . . . 0.0 110.082 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.35 -40.61 58.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.231 0.539 . . . . 0.0 110.139 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -28.49 66.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.452 -0.78 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -81.45 -33.21 32.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.492 -0.755 . . . . 0.0 110.221 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.61 60.85 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.392 -0.818 . . . . 0.0 110.343 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.39 -53.8 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 119.475 1.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pp -141.42 -160.79 1.12 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.3 -1.118 . . . . 0.0 110.167 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER 55.26 34.76 23.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.287 -0.883 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 t -142.91 74.13 1.43 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.42 -0.8 . . . . 0.0 110.182 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.62 176.8 6.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.417 -0.802 . . . . 0.0 110.176 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.38 11.81 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.272 -0.892 . . . . 0.0 110.462 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -72.94 -66.38 0.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.154 -0.966 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.17 -26.73 28.6 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.371 -0.831 . . . . 0.0 110.197 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.1 66.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.656 -0.653 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.47 -51.27 55.77 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -53.41 -26.01 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -1.115 . . . . 0.0 109.682 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -97.46 -18.8 18.83 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.535 -0.728 . . . . 0.0 110.284 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.79 -78.5 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.172 -0.955 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.53 61.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.465 -0.772 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -76.02 69.06 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.59 -62.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.454 -0.779 . . . . 0.0 109.816 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -55.73 27.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.522 -0.736 . . . . 0.0 110.26 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.18 -55.85 7.73 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.957 -0.464 . . . . 0.0 110.938 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -56.07 9.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -0.911 . . . . 0.0 109.713 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -33.56 22.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.671 -0.643 . . . . 0.0 110.563 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -60.91 2.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.66 -23.98 38.36 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -53.87 -66.9 0.31 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.368 -1.078 . . . . 0.0 110.333 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.81 -25.3 11.02 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.229 -0.92 . . . . 0.0 110.348 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.18 -61.98 2.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.534 -0.729 . . . . 0.0 110.121 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -54.4 -30.4 52.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.427 -0.796 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -61.26 -26.13 67.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.391 -0.818 . . . . 0.0 110.226 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.58 -61.07 2.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.36 -45.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.859 -0.526 . . . . 0.0 110.233 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -56.81 -27.2 59.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.337 -0.852 . . . . 0.0 110.456 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.89 -35.25 26.34 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.498 -0.751 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.4 -25.15 66.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.427 -0.796 . . . . 0.0 110.216 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.88 -12.58 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.357 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 CA-C-N 119.402 1.001 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tp -97.47 30.88 2.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.413 -1.051 . . . . 0.0 110.235 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -143.77 174.34 10.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 0.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -122.58 48.07 1.83 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.367 -0.833 . . . . 0.0 110.15 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.94 165.79 18.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.396 -0.815 . . . . 0.0 110.242 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.2 mt -125.59 62.65 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 110.147 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -92.65 -71.75 0.63 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 110.036 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 -26.68 15.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -0.846 . . . . 0.0 110.119 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.12 -44.36 74.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.708 -0.62 . . . . 0.0 110.458 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.97 -49.96 67.73 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.23 19.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.244 -1.151 . . . . 0.0 109.622 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -94.73 -19.69 20.16 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 121.492 -0.755 . . . . 0.0 110.236 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.73 -76.72 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.226 -0.921 . . . . 0.0 110.495 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.6 61.78 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.533 -0.73 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 85.01 2.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.36 -0.838 . . . . 0.0 110.221 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.78 -62.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.82 . . . . 0.0 109.96 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.92 -57.27 9.9 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.631 0.729 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.97 24.74 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.962 -0.461 . . . . 0.0 110.982 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -59.65 2.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 110.005 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.67 58.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.508 -0.745 . . . . 0.0 110.561 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.12 -58.88 4.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.51 -24.65 24.88 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -67.59 0.27 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.216 -1.167 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -22.96 25.48 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.207 -0.933 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.33 -60.55 3.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.16 -35.53 48.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.455 -0.778 . . . . 0.0 110.532 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.95 -31.68 68.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.35 -0.844 . . . . 0.0 110.093 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -59.89 3.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.7 t -54.42 -38.21 40.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.271 0.558 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -30.52 64.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.954 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.63 -29.45 56.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.644 -0.66 . . . . 0.0 109.888 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.65 -65.65 1.0 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.497 -0.752 . . . . 0.0 110.125 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t 52.3 90.61 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.445 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 CA-C-N 119.371 0.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.95 -25.95 13.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.31 -1.112 . . . . 0.0 109.577 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.02 -24.45 16.9 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.595 -0.691 . . . . 0.0 110.017 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -75.37 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.445 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.15 63.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.54 -0.725 . . . . 0.0 110.523 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.6 tptp -71.79 67.02 0.57 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.348 -0.845 . . . . 0.0 110.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.54 -62.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.907 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.62 -55.42 26.01 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.696 0.76 . . . . 0.0 110.461 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.16 -50.42 11.35 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -58.16 3.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.274 -0.891 . . . . 0.0 109.745 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -29.48 15.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.59 -0.694 . . . . 0.0 110.532 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.97 1.99 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.097 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.772 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -57.78 -23.78 51.55 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -55.79 -67.79 0.26 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -1.126 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.72 -23.89 19.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.251 -0.906 . . . . 0.0 110.252 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -60.85 -61.33 2.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.491 -0.755 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.59 -43.86 72.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.432 -0.792 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -61.97 -27.56 68.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.338 -0.851 . . . . 0.0 110.17 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -68.85 -68.2 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.377 -0.827 . . . . 0.0 110.238 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.07 -44.07 86.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.777 -0.577 . . . . 0.0 110.073 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -57.98 -21.0 42.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.0 110.5 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -88.1 -24.7 23.33 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.47 -0.769 . . . . 0.0 110.419 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.408 -179.812 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -53.25 -25.86 15.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.327 -1.102 . . . . 0.0 109.643 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -20.13 19.5 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.291 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.03 -76.76 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.209 -0.932 . . . . 0.0 110.326 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.72 -22.68 37.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.453 -0.779 . . . . 0.0 110.294 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 1.2 mmmp? -82.73 64.07 7.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.072 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.74 -62.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.377 -0.827 . . . . 0.0 109.775 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.06 -56.07 18.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.539 -0.726 . . . . 0.0 110.443 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.32 -50.94 15.62 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.97 -0.456 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -72.68 -60.74 2.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.02 -39.32 26.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.622 -0.674 . . . . 0.0 110.591 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.6 -59.68 2.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 110.063 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.749 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.57 -38.32 80.44 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.27 -67.37 0.28 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.254 -1.145 . . . . 0.0 110.197 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.26 -23.51 23.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.302 -0.874 . . . . 0.0 110.32 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.89 -61.5 2.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 110.125 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.59 -27.95 19.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.412 -0.805 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -75.84 -33.08 60.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.369 -0.832 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.95 -45.5 92.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 121.195 0.522 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 m -58.8 -28.02 65.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.87 -29.04 55.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.724 . . . . 0.0 110.176 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.348 -0.845 . . . . 0.0 110.2 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.84 -28.13 21.49 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.378 -1.072 . . . . 0.0 109.755 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.1 -20.68 19.09 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.531 -0.731 . . . . 0.0 110.162 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.1 -90.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.275 -0.891 . . . . 0.0 110.32 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.06 64.82 0.54 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.15 -0.969 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 9.3 tptt -162.45 77.32 0.48 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.273 -0.892 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 177.18 -62.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.857 . . . . 0.0 109.97 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.05 -56.34 20.93 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.611 0.719 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.02 -45.36 10.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.949 -0.469 . . . . 0.0 111.243 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -73.12 -61.97 1.63 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.0 110.052 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.63 51.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.542 -0.724 . . . . 0.0 110.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -61.09 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.378 -0.826 . . . . 0.0 110.18 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.683 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.22 -27.25 31.25 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -59.94 -67.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.323 -1.104 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -22.29 28.41 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.427 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.23 -60.7 3.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.8 . . . . 0.0 110.224 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -51.9 -46.04 64.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.543 -0.723 . . . . 0.0 110.5 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -65.35 -28.37 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -63.65 -65.87 0.62 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.97 -45.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-O 121.28 0.562 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 t -56.71 -28.3 60.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.363 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.79 -31.7 57.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 110.185 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.716 0 O-C-N 121.347 -0.846 . . . . 0.0 110.223 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -26.05 18.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.312 -1.11 . . . . 0.0 109.87 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.56 -16.1 17.6 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.556 -0.715 . . . . 0.0 110.443 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.04 -80.83 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.179 -0.951 . . . . 0.0 110.391 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.23 -22.89 61.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.383 -0.823 . . . . 0.0 110.175 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -94.4 65.87 3.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.166 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.6 -63.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 109.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.23 27.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 110.372 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.51 -46.55 13.94 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.987 -0.446 . . . . 0.0 111.122 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.14 -62.5 1.49 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.227 -0.921 . . . . 0.0 110.166 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.77 -41.02 61.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.496 -0.752 . . . . 0.0 110.796 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.54 -60.05 2.7 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.243 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.776 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -52.23 -37.13 46.52 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -68.17 0.23 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -1.133 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.83 28.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.24 -61.38 2.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.119 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.91 -25.28 11.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.413 -0.804 . . . . 0.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -60.97 -31.93 71.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -60.87 2.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.19 -43.15 81.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 O-C-N 121.76 -0.587 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -57.31 -28.33 62.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.387 -0.821 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.46 -28.71 56.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.077 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.423 -0.798 . . . . 0.0 110.193 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.423 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -53.99 -25.75 22.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.3 -1.117 . . . . 0.0 109.641 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.82 -18.24 22.23 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.319 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.75 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.287 -0.883 . . . . 0.0 110.476 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.51 57.21 2.36 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.484 -0.76 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -170.44 54.14 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.045 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.87 -63.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.363 -0.835 . . . . 0.0 109.763 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.07 -53.97 45.85 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.759 0.79 . . . . 0.0 110.205 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.29 -52.68 9.39 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.039 0.447 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.03 -60.09 2.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.324 -0.86 . . . . 0.0 109.982 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.19 26.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.595 -0.69 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.02 -61.1 1.89 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.84 . . . . 0.0 110.173 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.734 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -54.68 -27.88 44.28 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -56.96 -67.26 0.33 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.272 -1.134 . . . . 0.0 110.203 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.81 -23.34 29.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 110.238 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.43 -61.68 2.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -53.7 -34.42 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.518 -0.739 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.89 73.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.355 -0.841 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -61.25 2.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.233 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.22 -41.9 78.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.822 -0.549 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 t -56.91 -24.68 54.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.09 -26.89 33.23 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.4 -0.813 . . . . 0.0 110.236 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 110.231 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -25.94 14.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -1.084 . . . . 0.0 109.834 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -99.86 -16.25 18.1 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.51 -0.744 . . . . 0.0 110.47 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.74 -81.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.181 -0.949 . . . . 0.0 110.436 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.11 66.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.468 -0.77 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -93.6 78.26 4.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.6 -62.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.355 -0.841 . . . . 0.0 109.936 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -56.77 13.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.498 -0.751 . . . . 0.0 110.52 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.69 -51.24 16.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.872 -0.517 . . . . 0.0 111.001 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -57.75 3.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.363 -0.835 . . . . 0.0 109.919 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.26 -30.19 16.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.557 -0.714 . . . . 0.0 110.702 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -60.95 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.305 -0.872 . . . . 0.0 110.09 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.698 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -59.72 -24.5 60.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -57.23 -66.51 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.288 -1.125 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -24.23 12.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.187 -0.945 . . . . 0.0 110.354 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.04 -61.23 2.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.485 -0.76 . . . . 0.0 110.15 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -55.1 -31.68 61.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.501 -0.749 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -25.45 66.69 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.382 -0.824 . . . . 0.0 110.293 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -60.95 3.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 110.415 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.14 -45.73 92.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.758 -0.589 . . . . 0.0 110.073 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -25.68 60.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.324 -0.86 . . . . 0.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.58 -33.75 41.4 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.595 -0.691 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.452 -0.78 . . . . 0.0 110.248 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.397 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -55.29 -23.73 24.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.25 -1.147 . . . . 0.0 109.869 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -106.32 -9.97 16.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.422 -0.799 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.47 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.109 -0.994 . . . . 0.0 110.612 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.92 -27.15 67.98 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.344 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 5.3 mptt -68.36 76.13 0.26 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.79 -63.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.13 -56.63 18.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.481 -0.762 . . . . 0.0 110.51 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.91 -54.57 7.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.919 -0.488 . . . . 0.0 111.224 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HE3' ' CA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.52 -58.5 4.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.219 -0.925 . . . . 0.0 109.892 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.7 -30.59 14.15 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.657 -0.652 . . . . 0.0 110.617 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -61.23 1.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.468 -0.77 . . . . 0.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.696 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -58.23 -28.29 61.4 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -57.76 -67.93 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.331 -1.099 . . . . 0.0 110.34 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -21.77 40.54 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.32 -0.862 . . . . 0.0 110.325 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.35 -60.37 3.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.445 -0.784 . . . . 0.0 110.142 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -51.88 -38.5 56.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.617 -0.677 . . . . 0.0 110.485 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -73.01 -24.39 60.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.412 -0.805 . . . . 0.0 110.367 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.32 -60.76 2.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.305 -0.872 . . . . 0.0 110.467 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.37 -43.78 87.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.122 0.486 . . . . 0.0 110.265 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -57.28 -28.41 62.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.89 -29.25 50.17 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.552 -0.718 . . . . 0.0 110.209 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.415 -0.803 . . . . 0.0 110.218 -179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.437 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -53.15 -30.22 35.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.277 -1.131 . . . . 0.0 109.511 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.22 -25.19 20.73 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.625 -0.672 . . . . 0.0 109.918 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.94 -73.17 0.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.843 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -26.64 21.29 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.554 -0.716 . . . . 0.0 110.484 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 2.6 tptp -90.85 52.86 2.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.372 -0.83 . . . . 0.0 110.087 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.4 -63.17 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.399 -0.813 . . . . 0.0 109.8 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.27 48.91 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.784 0.802 . . . . 0.0 110.098 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.9 -51.21 5.62 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.58 -59.58 2.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.317 -0.865 . . . . 0.0 109.73 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.06 -30.67 6.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.66 -0.65 . . . . 0.0 110.714 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -60.68 2.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.401 -0.812 . . . . 0.0 110.101 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.78 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -64.66 -38.23 95.4 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -67.25 0.28 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.243 -1.151 . . . . 0.0 110.37 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.54 -24.0 18.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.27 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.14 -61.9 2.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.589 -0.694 . . . . 0.0 110.171 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.88 -26.5 36.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.435 -0.791 . . . . 0.0 110.48 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.21 -26.22 66.23 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.326 -0.859 . . . . 0.0 110.184 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.28 -63.54 1.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.349 -0.844 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.24 -42.48 80.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 CA-C-O 121.241 0.543 . . . . 0.0 110.199 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -24.5 57.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.43 -29.28 19.15 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.478 -0.764 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.451 -0.78 . . . . 0.0 110.344 -179.847 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -26.61 15.77 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.319 -1.106 . . . . 0.0 109.941 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -100.16 -15.73 18.04 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.531 -0.731 . . . . 0.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.94 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.208 -0.932 . . . . 0.0 110.491 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.41 39.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.494 -0.754 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 16.7 tptt -97.48 62.88 1.73 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.55 -63.31 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.804 . . . . 0.0 109.879 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.83 -55.36 31.17 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.313 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.77 -52.24 8.61 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.056 0.455 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.14 -59.21 3.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.875 . . . . 0.0 109.781 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.36 -31.25 14.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.634 -0.666 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.17 -61.65 1.69 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.383 -0.823 . . . . 0.0 110.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -58.73 -26.09 59.7 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.65 -67.37 0.31 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.269 -1.136 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.2 -22.85 19.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.244 -0.91 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.16 -60.86 2.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.39 -43.26 64.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.462 -0.774 . . . . 0.0 110.501 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.63 -28.92 64.1 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.408 -0.808 . . . . 0.0 110.081 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.0 110.238 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.88 -41.69 80.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.19 0.519 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -27.71 60.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.326 -0.858 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.92 -29.0 49.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.521 -0.737 . . . . 0.0 110.163 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.495 -0.753 . . . . 0.0 110.182 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -52.99 -26.29 14.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.312 -1.111 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.31 -20.23 21.32 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.576 -0.703 . . . . 0.0 110.176 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.81 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.215 -0.928 . . . . 0.0 110.396 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.96 28.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.478 -0.763 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.2 mptp? -80.29 82.93 6.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.453 -0.78 . . . . 0.0 110.003 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.35 -61.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 0.0 110.008 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.27 -56.67 11.76 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.663 0.744 . . . . 0.0 110.647 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.12 -48.81 17.19 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.864 -0.523 . . . . 0.0 110.966 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -58.7 3.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 109.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -32.38 26.06 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.538 -0.726 . . . . 0.0 110.566 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.95 -60.73 2.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 110.232 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.95 -24.27 26.55 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -53.04 -66.45 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.285 -1.126 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.46 13.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.313 -0.867 . . . . 0.0 110.603 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.79 -60.87 3.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.461 -0.774 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.2 mp -53.87 -22.68 10.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.441 -0.787 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -90.67 23.57 3.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.193 -0.942 . . . . 0.0 110.403 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.54 -59.23 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 110.004 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.57 -44.61 89.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 CA-C-O 121.211 0.529 . . . . 0.0 110.131 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -29.91 58.79 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.43 -28.53 61.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.56 -0.712 . . . . 0.0 109.947 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.485 -0.759 . . . . 0.0 110.225 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -26.78 18.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.193 -1.18 . . . . 0.0 109.815 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.77 -16.99 19.63 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.583 -0.698 . . . . 0.0 110.367 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.5 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.169 -0.957 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -24.37 56.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.4 -0.812 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -90.13 89.27 7.6 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.5 -62.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -54.04 -57.68 10.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.536 -0.728 . . . . 0.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.75 15.08 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.86 -0.525 . . . . 0.0 111.154 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -62.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.123 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.74 45.96 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.532 -0.73 . . . . 0.0 110.73 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -63.78 -57.23 10.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 110.104 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.713 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -49.56 -34.74 20.84 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -59.69 -67.73 0.35 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.224 -1.163 . . . . 0.0 110.179 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.23 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.239 -0.913 . . . . 0.0 110.241 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.36 -61.07 2.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.416 -0.803 . . . . 0.0 110.089 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.73 -27.68 18.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.49 -0.756 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.62 -17.62 64.17 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.338 -0.852 . . . . 0.0 110.333 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.36 1.83 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.301 -0.875 . . . . 0.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.04 -42.82 83.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.796 -0.565 . . . . 0.0 110.205 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -57.11 -27.35 61.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.356 -0.84 . . . . 0.0 110.332 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -78.11 -32.37 50.49 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.58 -0.7 . . . . 0.0 110.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.394 -0.817 . . . . 0.0 110.244 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -53.11 -26.15 15.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.346 -1.091 . . . . 0.0 109.748 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -96.66 -16.89 20.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.524 -0.735 . . . . 0.0 110.35 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.094 -1.004 . . . . 0.0 110.605 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -25.33 60.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.524 -0.735 . . . . 0.0 110.421 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -77.44 86.37 3.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.16 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.03 -62.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.423 -0.798 . . . . 0.0 109.994 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.85 -56.66 12.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.588 -0.695 . . . . 0.0 110.79 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.69 9.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.981 -0.449 . . . . 0.0 111.136 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -58.64 4.67 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.143 -0.973 . . . . 0.0 109.529 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.51 13.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.68 -0.637 . . . . 0.0 110.565 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 -61.54 1.73 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.381 -0.824 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.708 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -61.03 -24.46 62.97 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -55.57 -66.32 0.44 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.267 -1.137 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.302 -0.874 . . . . 0.0 110.398 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.64 -62.02 2.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.507 -0.746 . . . . 0.0 110.151 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -56.59 -31.83 64.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.471 -0.768 . . . . 0.0 110.262 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.38 -26.77 65.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.402 -0.811 . . . . 0.0 110.17 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.41 -60.7 3.13 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.383 -0.823 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.66 -44.7 94.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.5 t -58.6 -33.03 69.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.266 -0.896 . . . . 0.0 110.409 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -33.9 69.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.545 -0.722 . . . . 0.0 110.046 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.432 -0.792 . . . . 0.0 110.169 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -52.63 -27.3 16.51 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.284 -1.127 . . . . 0.0 109.49 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 15' ' ' LYS . 5.6 mm-40 -88.57 -22.39 23.57 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.621 -0.674 . . . . 0.0 110.041 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -71.53 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.2 -0.938 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.24 61.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.566 -0.709 . . . . 0.0 110.259 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -73.46 63.76 0.81 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.321 -0.862 . . . . 0.0 110.069 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.85 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.384 -0.822 . . . . 0.0 109.707 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.16 -55.22 37.77 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.691 0.758 . . . . 0.0 110.188 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.35 11.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.875 -0.515 . . . . 0.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -61.08 1.9 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.859 . . . . 0.0 109.851 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.98 -38.64 23.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.594 -0.691 . . . . 0.0 110.769 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -60.36 2.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 110.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.81 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.66 -31.05 60.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -66.85 0.32 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.206 -1.173 . . . . 0.0 110.237 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.69 -25.95 12.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.285 -0.884 . . . . 0.0 110.091 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -64.37 -62.52 1.55 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.582 -0.699 . . . . 0.0 109.927 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -60.4 -27.86 67.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.38 -0.825 . . . . 0.0 110.226 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -57.96 -21.89 46.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.43 -0.794 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.38 -70.49 0.42 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -0.928 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.2 -43.5 85.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 O-C-N 121.803 -0.56 . . . . 0.0 110.305 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 p -56.89 -28.04 61.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.342 -0.849 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 -32.27 59.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.568 -0.707 . . . . 0.0 110.111 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 110.117 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -53.13 -26.84 18.19 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -1.133 . . . . 0.0 109.73 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.84 -19.25 19.74 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.45 -0.781 . . . . 0.0 110.291 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.89 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.215 -0.928 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.09 -28.54 62.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.462 -0.774 . . . . 0.0 110.239 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -86.61 88.66 7.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.358 -0.839 . . . . 0.0 110.083 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.11 -62.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 109.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.84 -56.65 12.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.558 -0.714 . . . . 0.0 110.657 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.49 -47.19 19.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.895 -0.503 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -60.73 2.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.274 -0.891 . . . . 0.0 109.935 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -32.53 29.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.611 -0.681 . . . . 0.0 110.481 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.35 -60.53 2.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.369 -0.832 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.67 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -54.77 -25.3 36.17 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -67.26 0.36 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.388 -1.066 . . . . 0.0 110.261 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -22.74 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.342 -0.849 . . . . 0.0 110.333 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.28 -60.33 3.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 110.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.57 -24.44 8.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -86.64 51.89 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.293 -0.879 . . . . 0.0 110.136 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.13 -60.21 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.4 t -59.15 -45.33 92.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.225 0.536 . . . . 0.0 110.183 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -55.65 -30.16 60.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.869 . . . . 0.0 110.248 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.67 -29.17 62.15 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.529 -0.732 . . . . 0.0 110.0 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.43 -0.794 . . . . 0.0 110.184 179.911 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.4 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -27.04 20.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.348 -1.089 . . . . 0.0 109.651 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.61 -19.57 18.95 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.552 -0.718 . . . . 0.0 110.26 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.76 -76.93 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.435 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.98 63.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.558 -0.714 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.57 73.7 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 0.0 110.027 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -177.76 -61.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 109.896 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.32 -56.19 14.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.66 0.743 . . . . 0.0 110.485 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 -45.07 22.89 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.167 0.508 . . . . 0.0 110.929 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -77.9 -59.61 2.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 110.011 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.38 39.05 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.553 -0.717 . . . . 0.0 110.755 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -61.21 1.88 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 110.123 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.738 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -57.8 -22.98 49.23 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -66.84 0.35 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.291 -1.123 . . . . 0.0 110.402 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -24.59 10.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.303 -0.873 . . . . 0.0 110.502 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.74 -61.54 2.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.503 -0.748 . . . . 0.0 110.336 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.2 mp -53.66 -24.52 14.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.449 -0.782 . . . . 0.0 110.637 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -86.83 52.46 2.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.313 -0.867 . . . . 0.0 110.076 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.67 -58.8 0.26 Allowed 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 121.768 0.794 . . . . 0.0 110.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.57 -45.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 CA-C-O 121.231 0.538 . . . . 0.0 110.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.6 t -58.82 -27.23 64.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.15 -31.16 38.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 110.24 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -53.69 -25.7 19.51 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.378 -1.072 . . . . 0.0 109.74 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.35 -20.08 16.7 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.623 -0.673 . . . . 0.0 110.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.86 -79.11 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 110.569 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.9 -27.4 51.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.442 -0.786 . . . . 0.0 110.546 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -80.24 63.59 4.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.289 -0.882 . . . . 0.0 110.277 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.81 -63.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.862 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.26 -55.48 34.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.48 -0.763 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -53.51 6.07 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.089 0.471 . . . . 0.0 111.186 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.73 -57.76 5.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.238 -0.914 . . . . 0.0 109.749 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.02 -29.38 12.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.661 -0.65 . . . . 0.0 110.551 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -59.56 3.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.472 -0.768 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.735 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.34 -36.0 67.83 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -67.13 0.39 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.311 -1.111 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.56 -23.28 25.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.297 -0.877 . . . . 0.0 110.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.29 -61.24 2.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.11 -24.4 17.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.426 -0.796 . . . . 0.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -36.47 71.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.288 -0.883 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.42 -61.3 1.89 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.82 -44.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.82 -0.55 . . . . 0.0 110.145 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -56.42 -28.6 59.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -28.85 60.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 110.025 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.793 . . . . 0.0 110.209 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -27.76 16.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.303 -1.116 . . . . 0.0 109.496 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.04 -24.32 22.36 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.586 -0.696 . . . . 0.0 110.009 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -72.66 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.29 -26.14 50.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.629 -0.669 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -92.8 63.99 3.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.841 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.02 -63.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.006 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.29 36.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.438 -0.789 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.57 9.49 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.956 -0.465 . . . . 0.0 111.257 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -62.06 1.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.911 . . . . 0.0 110.182 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.97 51.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.525 -0.734 . . . . 0.0 110.743 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -59.18 3.44 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.789 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -52.39 -39.95 52.92 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.42 -67.75 0.24 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.221 -1.164 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -24.05 28.75 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -62.26 -62.18 1.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.486 -0.759 . . . . 0.0 110.157 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -56.08 -34.15 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.49 -0.756 . . . . 0.0 110.359 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -87.64 52.95 2.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 109.981 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.75 -59.58 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.828 0.823 . . . . 0.0 110.118 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.68 -45.97 90.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-O 121.244 0.545 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -28.66 65.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.439 -0.788 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -29.14 50.29 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.497 -0.752 . . . . 0.0 110.166 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.378 -0.826 . . . . 0.0 110.17 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.458 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -54.53 -25.07 23.54 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.296 -1.12 . . . . 0.0 109.725 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -100.32 -13.53 18.78 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.578 -0.701 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.25 -81.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.929 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -24.6 63.99 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.826 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.4 tptm -91.42 73.54 6.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.201 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.62 -62.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.379 -0.826 . . . . 0.0 109.965 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.34 -56.08 22.09 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.514 -0.741 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.06 -46.89 11.76 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.967 -0.458 . . . . 0.0 111.214 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.61 -61.12 1.98 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.95 . . . . 0.0 110.03 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.64 44.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.53 -0.731 . . . . 0.0 110.686 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -60.5 2.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.369 -0.832 . . . . 0.0 110.259 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.685 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.42 -31.26 43.02 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -59.69 -68.29 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -1.093 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.46 38.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.68 -60.5 3.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.382 -0.824 . . . . 0.0 110.178 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.01 -27.58 14.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.0 110.408 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.95 13.34 16.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.361 -0.837 . . . . 0.0 110.461 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.14 -59.34 1.87 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.941 . . . . 0.0 110.082 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.35 -40.61 58.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.231 0.539 . . . . 0.0 110.139 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -28.49 66.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.452 -0.78 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -81.45 -33.21 32.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.492 -0.755 . . . . 0.0 110.221 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.392 -0.818 . . . . 0.0 110.343 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -53.41 -26.01 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -1.115 . . . . 0.0 109.682 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -97.46 -18.8 18.83 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.535 -0.728 . . . . 0.0 110.284 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.79 -78.5 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.172 -0.955 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.53 61.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.465 -0.772 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.0 mmtt -76.02 69.06 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.59 -62.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.454 -0.779 . . . . 0.0 109.816 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -55.73 27.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.522 -0.736 . . . . 0.0 110.26 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.18 -55.85 7.73 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.957 -0.464 . . . . 0.0 110.938 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.78 -56.07 9.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -0.911 . . . . 0.0 109.713 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -33.56 22.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.671 -0.643 . . . . 0.0 110.563 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -60.91 2.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.781 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -55.66 -23.98 38.36 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -53.87 -66.9 0.31 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.368 -1.078 . . . . 0.0 110.333 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.81 -25.3 11.02 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.229 -0.92 . . . . 0.0 110.348 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.18 -61.98 2.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.534 -0.729 . . . . 0.0 110.121 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -54.4 -30.4 52.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.427 -0.796 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -61.26 -26.13 67.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.391 -0.818 . . . . 0.0 110.226 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.58 -61.07 2.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.36 -45.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.859 -0.526 . . . . 0.0 110.233 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -56.81 -27.2 59.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.337 -0.852 . . . . 0.0 110.456 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.89 -35.25 26.34 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.498 -0.751 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.427 -0.796 . . . . 0.0 110.216 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.23 19.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.244 -1.151 . . . . 0.0 109.622 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -94.73 -19.69 20.16 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 121.492 -0.755 . . . . 0.0 110.236 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.73 -76.72 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.226 -0.921 . . . . 0.0 110.495 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.6 61.78 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.533 -0.73 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -75.46 85.01 2.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.36 -0.838 . . . . 0.0 110.221 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.78 -62.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.82 . . . . 0.0 109.96 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.92 -57.27 9.9 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.631 0.729 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.97 24.74 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.962 -0.461 . . . . 0.0 110.982 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -59.65 2.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 110.005 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.67 58.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.508 -0.745 . . . . 0.0 110.561 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.12 -58.88 4.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.51 -24.65 24.88 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -67.59 0.27 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.216 -1.167 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -22.96 25.48 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.207 -0.933 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.33 -60.55 3.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.16 -35.53 48.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.455 -0.778 . . . . 0.0 110.532 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.95 -31.68 68.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.35 -0.844 . . . . 0.0 110.093 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -59.89 3.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.7 t -54.42 -38.21 40.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.271 0.558 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -30.52 64.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.954 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.63 -29.45 56.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.644 -0.66 . . . . 0.0 109.888 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.497 -0.752 . . . . 0.0 110.125 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.42 145.6 4.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -1.088 . . . . 0.0 110.233 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.77 31.64 2.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.448 -0.783 . . . . 0.0 110.114 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m 52.16 -171.56 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.394 -0.816 . . . . 0.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -162.8 -47.11 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 110.228 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 6' ' ' ILE . 8.8 mt -117.26 66.33 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.37 -0.831 . . . . 0.0 109.975 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -109.29 -50.18 3.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.358 -0.839 . . . . 0.0 110.169 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.95 70.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.431 -0.793 . . . . 0.0 110.164 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.14 -54.44 7.77 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.713 -0.617 . . . . 0.0 110.325 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.48 -49.4 74.19 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.95 -25.95 13.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.31 -1.112 . . . . 0.0 109.577 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.02 -24.45 16.9 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.595 -0.691 . . . . 0.0 110.017 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -75.37 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.445 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.15 63.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.54 -0.725 . . . . 0.0 110.523 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.6 tptp -71.79 67.02 0.57 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.348 -0.845 . . . . 0.0 110.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.54 -62.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.907 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.62 -55.42 26.01 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.696 0.76 . . . . 0.0 110.461 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.16 -50.42 11.35 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -58.16 3.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.274 -0.891 . . . . 0.0 109.745 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -29.48 15.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.59 -0.694 . . . . 0.0 110.532 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.97 1.99 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.097 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.772 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -57.78 -23.78 51.55 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -55.79 -67.79 0.26 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -1.126 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.72 -23.89 19.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.251 -0.906 . . . . 0.0 110.252 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -60.85 -61.33 2.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.491 -0.755 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.59 -43.86 72.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.432 -0.792 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -61.97 -27.56 68.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.338 -0.851 . . . . 0.0 110.17 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -68.85 -68.2 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.377 -0.827 . . . . 0.0 110.238 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.07 -44.07 86.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.777 -0.577 . . . . 0.0 110.073 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.616 ' O ' HG12 ' A' ' 33' ' ' VAL . 75.0 m -57.98 -21.0 42.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.0 110.5 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -88.1 -24.7 23.33 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.47 -0.769 . . . . 0.0 110.419 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.81 -30.29 32.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.408 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 30' ' ' SER . 10.7 p -55.32 -43.39 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.388 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . 0.541 ' N ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.307 -1.273 0 CA-C-N 119.42 1.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tp -81.76 92.92 6.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.403 -1.057 . . . . 0.0 110.137 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 52.31 51.49 16.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.358 -0.839 . . . . 0.0 110.452 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 t -104.86 -27.68 11.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -33.19 75.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.238 -0.914 . . . . 0.0 110.148 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 9.0 tp -96.47 -19.5 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.453 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -55.86 -48.08 76.16 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.26 -0.9 . . . . 0.0 110.421 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.56 -27.53 67.02 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 6' ' ' ILE . . . -54.03 -57.54 10.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.673 -0.642 . . . . 0.0 110.477 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.37 -51.27 57.64 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -53.25 -25.86 15.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.327 -1.102 . . . . 0.0 109.643 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -20.13 19.5 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.291 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.03 -76.76 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.209 -0.932 . . . . 0.0 110.326 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.72 -22.68 37.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.453 -0.779 . . . . 0.0 110.294 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 1.2 mmmp? -82.73 64.07 7.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.072 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.74 -62.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.377 -0.827 . . . . 0.0 109.775 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.06 -56.07 18.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.539 -0.726 . . . . 0.0 110.443 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.32 -50.94 15.62 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.97 -0.456 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -72.68 -60.74 2.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.02 -39.32 26.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.622 -0.674 . . . . 0.0 110.591 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.6 -59.68 2.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 110.063 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.749 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.57 -38.32 80.44 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.27 -67.37 0.28 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.254 -1.145 . . . . 0.0 110.197 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.26 -23.51 23.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.302 -0.874 . . . . 0.0 110.32 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.89 -61.5 2.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 110.125 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.59 -27.95 19.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.412 -0.805 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -75.84 -33.08 60.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.369 -0.832 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.95 -45.5 92.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 121.195 0.522 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 m -58.8 -28.02 65.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.87 -29.04 55.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.724 . . . . 0.0 110.176 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.18 -45.96 86.08 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.348 -0.845 . . . . 0.0 110.2 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.75 -42.64 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.195 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 CA-C-N 119.4 1.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.58 -21.95 59.22 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.317 -1.108 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -67.53 77.06 0.18 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.341 -0.849 . . . . 0.0 110.074 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 p -127.57 179.68 5.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 110.167 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -70.03 163.48 26.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.338 -0.851 . . . . 0.0 110.049 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 6' ' ' ILE . 3.2 mt -95.17 18.48 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.359 -0.838 . . . . 0.0 110.374 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -78.48 -40.8 34.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.241 -0.912 . . . . 0.0 110.147 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.71 -26.84 12.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.4 -0.812 . . . . 0.0 110.369 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.33 -24.15 18.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.656 -0.653 . . . . 0.0 110.575 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.83 -48.86 84.12 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.84 -28.13 21.49 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.378 -1.072 . . . . 0.0 109.755 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.1 -20.68 19.09 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.531 -0.731 . . . . 0.0 110.162 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.1 -90.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.275 -0.891 . . . . 0.0 110.32 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.06 64.82 0.54 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.15 -0.969 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 9.3 tptt -162.45 77.32 0.48 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.273 -0.892 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 177.18 -62.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.857 . . . . 0.0 109.97 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.05 -56.34 20.93 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.611 0.719 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.02 -45.36 10.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.949 -0.469 . . . . 0.0 111.243 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -73.12 -61.97 1.63 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.0 110.052 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.63 51.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.542 -0.724 . . . . 0.0 110.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -61.09 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.378 -0.826 . . . . 0.0 110.18 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.683 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.22 -27.25 31.25 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -59.94 -67.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.323 -1.104 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -22.29 28.41 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.427 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.23 -60.7 3.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.8 . . . . 0.0 110.224 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -51.9 -46.04 64.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.543 -0.723 . . . . 0.0 110.5 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -65.35 -28.37 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -63.65 -65.87 0.62 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.97 -45.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-O 121.28 0.562 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 t -56.71 -28.3 60.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.363 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.79 -31.7 57.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 110.185 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.41 96.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.347 -0.846 . . . . 0.0 110.223 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -57.4 -53.72 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.227 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 CA-C-N 119.433 1.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.2 mt -97.8 -174.36 2.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.408 -1.054 . . . . 0.0 110.213 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -160.26 39.97 0.18 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 110.172 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -148.47 48.0 1.03 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.441 -0.787 . . . . 0.0 110.116 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -84.79 -178.28 6.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.419 -0.801 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -122.88 -40.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.309 -0.869 . . . . 0.0 110.18 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -63.43 1.38 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.356 -0.84 . . . . 0.0 110.26 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.8 66.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 110.338 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.17 -37.98 62.39 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.667 -0.646 . . . . 0.0 110.437 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.46 59.54 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -26.05 18.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.312 -1.11 . . . . 0.0 109.87 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.56 -16.1 17.6 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.556 -0.715 . . . . 0.0 110.443 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.04 -80.83 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.179 -0.951 . . . . 0.0 110.391 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.23 -22.89 61.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.383 -0.823 . . . . 0.0 110.175 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -94.4 65.87 3.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.166 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.6 -63.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 109.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.23 27.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 110.372 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.51 -46.55 13.94 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.987 -0.446 . . . . 0.0 111.122 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.14 -62.5 1.49 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.227 -0.921 . . . . 0.0 110.166 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.77 -41.02 61.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.496 -0.752 . . . . 0.0 110.796 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.54 -60.05 2.7 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.243 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.776 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -52.23 -37.13 46.52 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -68.17 0.23 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -1.133 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.83 28.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.24 -61.38 2.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.119 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.91 -25.28 11.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.413 -0.804 . . . . 0.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -60.97 -31.93 71.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -60.87 2.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.19 -43.15 81.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 O-C-N 121.76 -0.587 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -57.31 -28.33 62.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.387 -0.821 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.46 -28.71 56.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.077 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.95 -55.5 5.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.423 -0.798 . . . . 0.0 110.193 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.09 -18.72 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.364 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 CA-C-N 119.442 1.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 2' ' ' LEU . 18.9 tp -86.33 74.1 10.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -1.096 . . . . 0.0 110.132 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.33 91.24 0.37 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.85 . . . . 0.0 110.091 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -141.99 -47.95 0.36 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.342 -0.849 . . . . 0.0 110.251 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.699 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 18.6 mttp -61.66 138.8 58.33 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.313 -0.867 . . . . 0.0 110.213 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -116.25 -62.39 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.347 -0.846 . . . . 0.0 110.169 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -33.03 74.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.409 -0.807 . . . . 0.0 110.044 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.91 -25.97 22.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.447 -0.783 . . . . 0.0 110.26 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -52.18 -29.61 23.08 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.658 -0.651 . . . . 0.0 110.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.04 -48.93 80.01 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -53.99 -25.75 22.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.3 -1.117 . . . . 0.0 109.641 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.82 -18.24 22.23 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.319 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.75 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.287 -0.883 . . . . 0.0 110.476 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.51 57.21 2.36 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.484 -0.76 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -170.44 54.14 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.045 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.87 -63.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.363 -0.835 . . . . 0.0 109.763 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.07 -53.97 45.85 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.759 0.79 . . . . 0.0 110.205 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.29 -52.68 9.39 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.039 0.447 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.03 -60.09 2.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.324 -0.86 . . . . 0.0 109.982 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.19 26.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.595 -0.69 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.02 -61.1 1.89 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.84 . . . . 0.0 110.173 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.734 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -54.68 -27.88 44.28 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -56.96 -67.26 0.33 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.272 -1.134 . . . . 0.0 110.203 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.81 -23.34 29.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 110.238 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.43 -61.68 2.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -53.7 -34.42 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.518 -0.739 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.89 73.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.355 -0.841 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -61.25 2.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.233 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.22 -41.9 78.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.822 -0.549 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 t -56.91 -24.68 54.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.09 -26.89 33.23 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.4 -0.813 . . . . 0.0 110.236 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.31 -46.94 16.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 34' ' ' NH2 . 34.5 m -56.44 -47.48 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.383 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . 0.585 ' N ' HG23 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.364 0 CA-C-N 119.453 1.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mp -129.44 175.01 9.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.371 -1.076 . . . . 0.0 110.32 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -82.36 150.71 27.02 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.417 -0.802 . . . . 0.0 110.138 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -113.09 74.71 0.88 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.337 -0.852 . . . . 0.0 110.252 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.97 -173.9 2.96 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.333 -0.854 . . . . 0.0 110.234 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 mt -126.91 -34.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.833 . . . . 0.0 110.325 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -60.61 -66.21 0.56 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.342 -0.849 . . . . 0.0 110.675 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.79 36.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.28 -0.888 . . . . 0.0 110.589 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.21 -23.13 33.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.566 -0.709 . . . . 0.0 110.66 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.24 -51.55 54.05 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -25.94 14.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -1.084 . . . . 0.0 109.834 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -99.86 -16.25 18.1 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.51 -0.744 . . . . 0.0 110.47 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.74 -81.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.181 -0.949 . . . . 0.0 110.436 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.11 66.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.468 -0.77 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -93.6 78.26 4.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.6 -62.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.355 -0.841 . . . . 0.0 109.936 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -56.77 13.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.498 -0.751 . . . . 0.0 110.52 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.69 -51.24 16.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.872 -0.517 . . . . 0.0 111.001 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -57.75 3.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.363 -0.835 . . . . 0.0 109.919 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.26 -30.19 16.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.557 -0.714 . . . . 0.0 110.702 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -60.95 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.305 -0.872 . . . . 0.0 110.09 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.698 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -59.72 -24.5 60.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -57.23 -66.51 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.288 -1.125 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -24.23 12.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.187 -0.945 . . . . 0.0 110.354 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.04 -61.23 2.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.485 -0.76 . . . . 0.0 110.15 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -55.1 -31.68 61.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.501 -0.749 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -25.45 66.69 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.382 -0.824 . . . . 0.0 110.293 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -60.95 3.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 110.415 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.14 -45.73 92.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.758 -0.589 . . . . 0.0 110.073 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -25.68 60.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.324 -0.86 . . . . 0.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.58 -33.75 41.4 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.595 -0.691 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.22 -26.98 68.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.452 -0.78 . . . . 0.0 110.248 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.7 t -56.37 -76.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.365 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 CA-C-N 119.414 1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.55 39.88 3.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.366 -1.079 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 -49.53 4.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.362 -0.836 . . . . 0.0 110.178 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 t -76.28 106.53 7.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.386 -0.821 . . . . 0.0 110.198 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -165.54 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.353 -0.842 . . . . 0.0 110.084 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.62 -39.28 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 110.095 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -27.51 67.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.312 -0.868 . . . . 0.0 110.225 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.28 -26.43 14.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.316 -0.865 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -53.67 -25.0 16.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.632 -0.668 . . . . 0.0 110.501 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.58 -47.85 86.14 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -55.29 -23.73 24.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.25 -1.147 . . . . 0.0 109.869 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -106.32 -9.97 16.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.422 -0.799 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.47 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.109 -0.994 . . . . 0.0 110.612 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.92 -27.15 67.98 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.344 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 5.3 mptt -68.36 76.13 0.26 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.79 -63.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.13 -56.63 18.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.481 -0.762 . . . . 0.0 110.51 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.91 -54.57 7.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.919 -0.488 . . . . 0.0 111.224 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HE3' ' CA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.52 -58.5 4.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.219 -0.925 . . . . 0.0 109.892 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.7 -30.59 14.15 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.657 -0.652 . . . . 0.0 110.617 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -61.23 1.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.468 -0.77 . . . . 0.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.696 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -58.23 -28.29 61.4 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -57.76 -67.93 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.331 -1.099 . . . . 0.0 110.34 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -21.77 40.54 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.32 -0.862 . . . . 0.0 110.325 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.35 -60.37 3.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.445 -0.784 . . . . 0.0 110.142 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -51.88 -38.5 56.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.617 -0.677 . . . . 0.0 110.485 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -73.01 -24.39 60.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.412 -0.805 . . . . 0.0 110.367 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.32 -60.76 2.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.305 -0.872 . . . . 0.0 110.467 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.37 -43.78 87.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.122 0.486 . . . . 0.0 110.265 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -57.28 -28.41 62.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.89 -29.25 50.17 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.552 -0.718 . . . . 0.0 110.209 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 -53.81 6.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.415 -0.803 . . . . 0.0 110.218 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.53 -60.77 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.33 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 CA-C-N 119.392 0.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.72 139.4 34.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.344 -1.092 . . . . 0.0 110.172 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 32.2 p90 -70.63 -178.06 1.71 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.302 -0.874 . . . . 0.0 110.242 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -164.14 45.48 0.11 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.314 -0.866 . . . . 0.0 110.358 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -133.83 177.16 7.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.845 . . . . 0.0 110.147 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 6' ' ' ILE . 79.2 mt -104.26 56.14 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.436 -0.79 . . . . 0.0 110.222 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -100.77 -68.57 0.81 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.069 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.1 -28.45 13.74 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.418 -0.801 . . . . 0.0 110.073 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.66 -18.35 59.17 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.738 -0.601 . . . . 0.0 110.442 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.8 -47.15 66.09 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -53.15 -30.22 35.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.277 -1.131 . . . . 0.0 109.511 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.22 -25.19 20.73 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.625 -0.672 . . . . 0.0 109.918 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.94 -73.17 0.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.843 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -26.64 21.29 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.554 -0.716 . . . . 0.0 110.484 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 2.6 tptp -90.85 52.86 2.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.372 -0.83 . . . . 0.0 110.087 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.4 -63.17 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.399 -0.813 . . . . 0.0 109.8 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.27 48.91 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.784 0.802 . . . . 0.0 110.098 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.9 -51.21 5.62 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.58 -59.58 2.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.317 -0.865 . . . . 0.0 109.73 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.06 -30.67 6.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.66 -0.65 . . . . 0.0 110.714 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -60.68 2.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.401 -0.812 . . . . 0.0 110.101 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.78 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -64.66 -38.23 95.4 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -67.25 0.28 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.243 -1.151 . . . . 0.0 110.37 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.54 -24.0 18.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.27 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.14 -61.9 2.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.589 -0.694 . . . . 0.0 110.171 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.88 -26.5 36.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.435 -0.791 . . . . 0.0 110.48 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.21 -26.22 66.23 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.326 -0.859 . . . . 0.0 110.184 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.28 -63.54 1.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.349 -0.844 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.24 -42.48 80.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 CA-C-O 121.241 0.543 . . . . 0.0 110.199 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -24.5 57.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.43 -29.28 19.15 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.478 -0.764 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.39 -33.87 18.97 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.451 -0.78 . . . . 0.0 110.344 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 p -54.68 -19.47 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.467 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 CA-C-N 119.375 0.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.94 9.03 26.47 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.374 -1.074 . . . . 0.0 110.589 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -88.43 -35.34 17.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.218 -0.927 . . . . 0.0 110.088 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.24 160.89 11.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 110.117 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -69.71 -158.7 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.318 -0.864 . . . . 0.0 110.056 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.9 mt -101.4 -28.27 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.251 -0.906 . . . . 0.0 110.156 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -65.63 -65.18 0.71 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 0.0 110.171 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -27.35 68.63 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.381 -0.824 . . . . 0.0 110.297 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -57.22 -24.93 57.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.713 -0.617 . . . . 0.0 110.537 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.28 -51.47 52.39 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -26.61 15.77 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.319 -1.106 . . . . 0.0 109.941 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -100.16 -15.73 18.04 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.531 -0.731 . . . . 0.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.94 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.208 -0.932 . . . . 0.0 110.491 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.41 39.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.494 -0.754 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 16.7 tptt -97.48 62.88 1.73 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.55 -63.31 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.804 . . . . 0.0 109.879 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.83 -55.36 31.17 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.313 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.77 -52.24 8.61 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.056 0.455 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.14 -59.21 3.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.875 . . . . 0.0 109.781 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.36 -31.25 14.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.634 -0.666 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.17 -61.65 1.69 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.383 -0.823 . . . . 0.0 110.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -58.73 -26.09 59.7 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.65 -67.37 0.31 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.269 -1.136 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.2 -22.85 19.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.244 -0.91 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.16 -60.86 2.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.39 -43.26 64.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.462 -0.774 . . . . 0.0 110.501 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.63 -28.92 64.1 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.408 -0.808 . . . . 0.0 110.081 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.0 110.238 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.88 -41.69 80.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.19 0.519 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -27.71 60.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.326 -0.858 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.92 -29.0 49.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.521 -0.737 . . . . 0.0 110.163 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.47 -52.69 8.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.495 -0.753 . . . . 0.0 110.182 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 34' ' ' NH2 . 11.0 p -56.38 -43.47 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.353 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . 0.536 ' N ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 119.417 1.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.35 -165.41 1.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -1.107 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -95.89 41.31 1.1 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.396 -0.815 . . . . 0.0 110.07 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 t -146.17 120.35 9.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.391 -0.818 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -101.43 -63.85 1.1 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.374 -0.829 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' O ' HG22 ' A' ' 6' ' ' ILE . 84.9 mt -124.36 58.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.307 -0.871 . . . . 0.0 110.157 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -122.58 -39.51 2.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.369 -0.832 . . . . 0.0 110.216 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.1 -26.6 12.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.375 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 -37.02 64.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.662 -0.649 . . . . 0.0 110.572 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.17 89.12 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -52.99 -26.29 14.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.312 -1.111 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.31 -20.23 21.32 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.576 -0.703 . . . . 0.0 110.176 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.81 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.215 -0.928 . . . . 0.0 110.396 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.96 28.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.478 -0.763 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.2 mptp? -80.29 82.93 6.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.453 -0.78 . . . . 0.0 110.003 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.35 -61.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 0.0 110.008 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.27 -56.67 11.76 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.663 0.744 . . . . 0.0 110.647 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.12 -48.81 17.19 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.864 -0.523 . . . . 0.0 110.966 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -58.7 3.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 109.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -32.38 26.06 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.538 -0.726 . . . . 0.0 110.566 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.95 -60.73 2.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 110.232 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.95 -24.27 26.55 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -53.04 -66.45 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.285 -1.126 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.46 13.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.313 -0.867 . . . . 0.0 110.603 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.79 -60.87 3.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.461 -0.774 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.2 mp -53.87 -22.68 10.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.441 -0.787 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -90.67 23.57 3.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.193 -0.942 . . . . 0.0 110.403 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.54 -59.23 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 110.004 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.616 ' O ' HG22 ' A' ' 33' ' ' VAL . 40.2 t -58.57 -44.61 89.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 CA-C-O 121.211 0.529 . . . . 0.0 110.131 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -29.91 58.79 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.43 -28.53 61.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.56 -0.712 . . . . 0.0 109.947 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.35 -63.51 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.485 -0.759 . . . . 0.0 110.225 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.69 HG23 ' N ' ' A' ' 34' ' ' NH2 . 27.1 m -57.77 -96.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.454 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . 0.69 ' N ' HG23 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.313 -1.02 0 CA-C-N 123.031 2.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.03 -166.94 1.8 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.402 -1.057 . . . . 0.0 110.184 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -118.81 173.85 6.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.389 -0.819 . . . . 0.0 110.173 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.8 p -114.65 113.31 24.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.12 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.31 -172.63 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.366 -0.834 . . . . 0.0 110.45 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.1 mt -123.49 -37.83 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.401 -0.812 . . . . 0.0 110.18 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -60.28 -37.62 81.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.417 -0.802 . . . . 0.0 110.294 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.78 -27.11 19.11 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.365 -0.834 . . . . 0.0 110.224 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.26 -25.32 33.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.664 -0.647 . . . . 0.0 110.497 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.64 49.58 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -26.78 18.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.193 -1.18 . . . . 0.0 109.815 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.77 -16.99 19.63 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.583 -0.698 . . . . 0.0 110.367 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.5 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.169 -0.957 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -24.37 56.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.4 -0.812 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -90.13 89.27 7.6 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.5 -62.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -54.04 -57.68 10.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.536 -0.728 . . . . 0.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.75 15.08 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.86 -0.525 . . . . 0.0 111.154 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -62.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.123 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.74 45.96 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.532 -0.73 . . . . 0.0 110.73 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -63.78 -57.23 10.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 110.104 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.713 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -49.56 -34.74 20.84 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -59.69 -67.73 0.35 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.224 -1.163 . . . . 0.0 110.179 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.23 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.239 -0.913 . . . . 0.0 110.241 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.36 -61.07 2.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.416 -0.803 . . . . 0.0 110.089 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.73 -27.68 18.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.49 -0.756 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.62 -17.62 64.17 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.338 -0.852 . . . . 0.0 110.333 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.36 1.83 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.301 -0.875 . . . . 0.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.04 -42.82 83.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.796 -0.565 . . . . 0.0 110.205 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -57.11 -27.35 61.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.356 -0.84 . . . . 0.0 110.332 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -78.11 -32.37 50.49 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.58 -0.7 . . . . 0.0 110.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.18 -55.61 10.1 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.394 -0.817 . . . . 0.0 110.244 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.66 -15.03 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 CA-C-N 119.412 1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.04 165.38 20.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.375 -1.074 . . . . 0.0 110.144 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.14 163.05 40.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.831 . . . . 0.0 110.17 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.6 p -139.52 46.22 1.91 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.471 -0.768 . . . . 0.0 110.154 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -120.14 -174.02 2.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.341 -0.85 . . . . 0.0 110.209 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 6' ' ' ILE . 79.6 mt -108.15 65.47 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.377 -0.827 . . . . 0.0 110.088 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.71 -55.27 1.14 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.405 -0.81 . . . . 0.0 110.197 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.11 -26.11 29.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.414 -0.804 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.65 -34.7 39.08 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.577 -0.702 . . . . 0.0 110.611 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -50.92 55.68 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -53.11 -26.15 15.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.346 -1.091 . . . . 0.0 109.748 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -96.66 -16.89 20.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.524 -0.735 . . . . 0.0 110.35 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.094 -1.004 . . . . 0.0 110.605 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -25.33 60.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.524 -0.735 . . . . 0.0 110.421 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -77.44 86.37 3.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.16 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.03 -62.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.423 -0.798 . . . . 0.0 109.994 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.85 -56.66 12.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.588 -0.695 . . . . 0.0 110.79 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.69 9.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.981 -0.449 . . . . 0.0 111.136 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -58.64 4.67 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.143 -0.973 . . . . 0.0 109.529 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.51 13.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.68 -0.637 . . . . 0.0 110.565 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 -61.54 1.73 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.381 -0.824 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.708 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -61.03 -24.46 62.97 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -55.57 -66.32 0.44 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.267 -1.137 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.302 -0.874 . . . . 0.0 110.398 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.64 -62.02 2.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.507 -0.746 . . . . 0.0 110.151 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -56.59 -31.83 64.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.471 -0.768 . . . . 0.0 110.262 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.38 -26.77 65.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.402 -0.811 . . . . 0.0 110.17 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.41 -60.7 3.13 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.383 -0.823 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.66 -44.7 94.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.5 t -58.6 -33.03 69.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.266 -0.896 . . . . 0.0 110.409 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -33.9 69.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.545 -0.722 . . . . 0.0 110.046 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -26.33 68.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.432 -0.792 . . . . 0.0 110.169 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.5 t -56.31 -75.89 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 CA-C-N 119.409 1.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.66 69.54 0.68 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.408 -1.054 . . . . 0.0 110.477 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.1 t90 52.44 88.45 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.314 -0.866 . . . . 0.0 110.515 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -142.78 165.58 27.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.387 -0.82 . . . . 0.0 110.168 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -84.32 151.91 24.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 110.313 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 6' ' ' ILE . 50.2 mm -101.89 59.24 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.35 -0.843 . . . . 0.0 110.16 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -45.13 4.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.1 -25.74 14.82 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.365 -0.834 . . . . 0.0 110.353 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.89 -32.14 19.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.709 -0.619 . . . . 0.0 110.587 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.57 -50.73 19.02 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -52.63 -27.3 16.51 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.284 -1.127 . . . . 0.0 109.49 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 15' ' ' LYS . 5.6 mm-40 -88.57 -22.39 23.57 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.621 -0.674 . . . . 0.0 110.041 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -71.53 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.2 -0.938 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.24 61.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.566 -0.709 . . . . 0.0 110.259 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -73.46 63.76 0.81 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.321 -0.862 . . . . 0.0 110.069 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.85 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.384 -0.822 . . . . 0.0 109.707 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.16 -55.22 37.77 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.691 0.758 . . . . 0.0 110.188 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.35 11.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.875 -0.515 . . . . 0.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -61.08 1.9 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.859 . . . . 0.0 109.851 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.98 -38.64 23.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.594 -0.691 . . . . 0.0 110.769 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -60.36 2.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 110.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.81 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.66 -31.05 60.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -66.85 0.32 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.206 -1.173 . . . . 0.0 110.237 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.69 -25.95 12.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.285 -0.884 . . . . 0.0 110.091 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -64.37 -62.52 1.55 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.582 -0.699 . . . . 0.0 109.927 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -60.4 -27.86 67.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.38 -0.825 . . . . 0.0 110.226 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -57.96 -21.89 46.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.43 -0.794 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.38 -70.49 0.42 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -0.928 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.2 -43.5 85.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 O-C-N 121.803 -0.56 . . . . 0.0 110.305 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 p -56.89 -28.04 61.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.342 -0.849 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 -32.27 59.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.568 -0.707 . . . . 0.0 110.111 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.98 79.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 110.117 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.4 t -57.96 -23.49 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 CA-C-N 119.433 1.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.459 -1.457 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 tp 52.67 66.96 1.07 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.412 -1.052 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.88 -165.69 1.3 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.178 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.59 113.49 21.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -121.47 -68.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.35 -0.844 . . . . 0.0 110.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 6' ' ' ILE . 81.1 mt -104.93 48.13 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.423 -0.798 . . . . 0.0 110.073 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.51 -32.47 7.69 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.827 . . . . 0.0 110.168 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.0 -26.56 20.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.401 -0.812 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.66 69.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.675 -0.641 . . . . 0.0 110.423 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.96 70.7 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -53.13 -26.84 18.19 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -1.133 . . . . 0.0 109.73 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.84 -19.25 19.74 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.45 -0.781 . . . . 0.0 110.291 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.89 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.215 -0.928 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.09 -28.54 62.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.462 -0.774 . . . . 0.0 110.239 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -86.61 88.66 7.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.358 -0.839 . . . . 0.0 110.083 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.11 -62.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 109.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.84 -56.65 12.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.558 -0.714 . . . . 0.0 110.657 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.49 -47.19 19.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.895 -0.503 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -60.73 2.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.274 -0.891 . . . . 0.0 109.935 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -32.53 29.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.611 -0.681 . . . . 0.0 110.481 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.35 -60.53 2.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.369 -0.832 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.67 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -54.77 -25.3 36.17 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -67.26 0.36 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.388 -1.066 . . . . 0.0 110.261 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -22.74 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.342 -0.849 . . . . 0.0 110.333 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.28 -60.33 3.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 110.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.57 -24.44 8.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -86.64 51.89 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.293 -0.879 . . . . 0.0 110.136 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.13 -60.21 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.4 t -59.15 -45.33 92.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.225 0.536 . . . . 0.0 110.183 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -55.65 -30.16 60.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.869 . . . . 0.0 110.248 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.67 -29.17 62.15 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.529 -0.732 . . . . 0.0 110.0 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.49 -57.18 4.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.43 -0.794 . . . . 0.0 110.184 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.4 m -56.66 -15.51 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 119.378 0.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 2' ' ' LEU . 9.6 tt -114.25 89.05 3.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.335 -1.097 . . . . 0.0 110.205 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -136.0 24.6 3.31 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.825 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.6 t 51.99 26.23 3.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.275 -0.89 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.514 ' HE3' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -81.05 -166.39 1.12 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.372 -0.83 . . . . 0.0 110.187 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 6' ' ' ILE . 3.9 tp -92.27 50.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -92.23 -55.74 3.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.367 -0.833 . . . . 0.0 110.002 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.27 -27.17 12.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 0.0 110.153 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.59 -30.96 63.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.735 -0.603 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.62 -49.93 71.54 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -27.04 20.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.348 -1.089 . . . . 0.0 109.651 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.61 -19.57 18.95 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.552 -0.718 . . . . 0.0 110.26 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.76 -76.93 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.435 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.98 63.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.558 -0.714 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.57 73.7 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 0.0 110.027 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -177.76 -61.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 109.896 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.32 -56.19 14.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.66 0.743 . . . . 0.0 110.485 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 -45.07 22.89 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.167 0.508 . . . . 0.0 110.929 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -77.9 -59.61 2.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 110.011 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.38 39.05 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.553 -0.717 . . . . 0.0 110.755 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -61.21 1.88 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 110.123 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.738 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -57.8 -22.98 49.23 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -66.84 0.35 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.291 -1.123 . . . . 0.0 110.402 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -24.59 10.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.303 -0.873 . . . . 0.0 110.502 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.74 -61.54 2.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.503 -0.748 . . . . 0.0 110.336 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.2 mp -53.66 -24.52 14.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.449 -0.782 . . . . 0.0 110.637 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -86.83 52.46 2.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.313 -0.867 . . . . 0.0 110.076 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.67 -58.8 0.26 Allowed 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 121.768 0.794 . . . . 0.0 110.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.57 -45.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 CA-C-O 121.231 0.538 . . . . 0.0 110.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.6 t -58.82 -27.23 64.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.15 -31.16 38.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.41 -50.64 20.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 110.24 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.15 -3.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.569 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 119.406 1.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.1 -73.03 0.13 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.347 -1.09 . . . . 0.0 110.134 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -73.46 145.84 45.41 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -59.53 140.89 55.89 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.37 -0.831 . . . . 0.0 110.232 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.47 -178.96 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.358 -0.839 . . . . 0.0 110.453 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 HG23 ' HB3' ' A' ' 9' ' ' ALA . 86.6 mt -96.02 65.0 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.428 -0.795 . . . . 0.0 110.15 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -31.3 11.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.326 -0.859 . . . . 0.0 110.133 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.54 -27.6 12.26 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.311 -0.868 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 6' ' ' ILE . . . -55.56 -23.33 26.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.646 -0.659 . . . . 0.0 110.445 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.41 -48.72 84.61 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -53.69 -25.7 19.51 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.378 -1.072 . . . . 0.0 109.74 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.35 -20.08 16.7 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.623 -0.673 . . . . 0.0 110.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.86 -79.11 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 110.569 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.9 -27.4 51.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.442 -0.786 . . . . 0.0 110.546 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -80.24 63.59 4.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.289 -0.882 . . . . 0.0 110.277 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.81 -63.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.862 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.26 -55.48 34.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.48 -0.763 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -53.51 6.07 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.089 0.471 . . . . 0.0 111.186 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.73 -57.76 5.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.238 -0.914 . . . . 0.0 109.749 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.02 -29.38 12.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.661 -0.65 . . . . 0.0 110.551 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -59.56 3.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.472 -0.768 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.735 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.34 -36.0 67.83 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -67.13 0.39 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.311 -1.111 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.56 -23.28 25.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.297 -0.877 . . . . 0.0 110.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.29 -61.24 2.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.11 -24.4 17.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.426 -0.796 . . . . 0.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -36.47 71.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.288 -0.883 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.42 -61.3 1.89 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.82 -44.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.82 -0.55 . . . . 0.0 110.145 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -56.42 -28.6 59.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -28.85 60.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 110.025 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.39 -36.96 74.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.793 . . . . 0.0 110.209 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -56.82 -72.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.266 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 CA-C-N 119.4 1.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 2' ' ' LEU . 4.9 mp -119.67 31.48 6.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.376 -1.073 . . . . 0.0 110.232 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.9 107.57 4.73 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.407 -0.808 . . . . 0.0 110.059 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -118.94 103.37 9.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.0 110.181 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -82.32 -25.87 33.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 0.0 110.295 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.19 -25.85 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.326 -0.859 . . . . 0.0 110.245 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -58.09 -34.18 69.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.387 -0.821 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.17 -26.48 26.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.325 -0.859 . . . . 0.0 110.236 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.6 -29.38 37.41 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.666 -0.646 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.73 -49.01 58.29 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -27.76 16.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.303 -1.116 . . . . 0.0 109.496 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.04 -24.32 22.36 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.586 -0.696 . . . . 0.0 110.009 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -72.66 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.29 -26.14 50.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.629 -0.669 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -92.8 63.99 3.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.841 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.02 -63.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.006 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.29 36.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.438 -0.789 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.57 9.49 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.956 -0.465 . . . . 0.0 111.257 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -62.06 1.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.911 . . . . 0.0 110.182 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.97 51.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.525 -0.734 . . . . 0.0 110.743 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -59.18 3.44 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.789 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -52.39 -39.95 52.92 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.42 -67.75 0.24 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.221 -1.164 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -24.05 28.75 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -62.26 -62.18 1.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.486 -0.759 . . . . 0.0 110.157 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -56.08 -34.15 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.49 -0.756 . . . . 0.0 110.359 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -87.64 52.95 2.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 109.981 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.75 -59.58 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.828 0.823 . . . . 0.0 110.118 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.68 -45.97 90.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-O 121.244 0.545 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -28.66 65.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.439 -0.788 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -29.14 50.29 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.497 -0.752 . . . . 0.0 110.166 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.73 -53.39 9.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.378 -0.826 . . . . 0.0 110.17 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.57 -14.95 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.461 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 CA-C-N 119.415 1.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 125.57 25.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.448 -1.031 . . . . 0.0 110.109 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -81.24 149.72 28.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.304 -0.873 . . . . 0.0 110.191 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -64.48 99.03 0.28 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -91.78 -33.64 14.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.355 -0.841 . . . . 0.0 110.268 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 mt -108.15 78.4 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.417 -0.802 . . . . 0.0 110.085 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -125.95 -62.54 1.17 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.344 -0.848 . . . . 0.0 110.23 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.39 -26.62 26.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.366 -0.834 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.72 16.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.629 -0.669 . . . . 0.0 110.665 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.35 -50.83 62.61 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -54.53 -25.07 23.54 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.296 -1.12 . . . . 0.0 109.725 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -100.32 -13.53 18.78 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.578 -0.701 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.25 -81.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.929 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -24.6 63.99 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.826 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.4 tptm -91.42 73.54 6.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.201 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.62 -62.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.379 -0.826 . . . . 0.0 109.965 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.34 -56.08 22.09 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.514 -0.741 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.06 -46.89 11.76 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.967 -0.458 . . . . 0.0 111.214 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.61 -61.12 1.98 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.95 . . . . 0.0 110.03 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.64 44.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.53 -0.731 . . . . 0.0 110.686 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -60.5 2.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.369 -0.832 . . . . 0.0 110.259 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.685 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.42 -31.26 43.02 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -59.69 -68.29 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -1.093 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.46 38.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.68 -60.5 3.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.382 -0.824 . . . . 0.0 110.178 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.01 -27.58 14.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.0 110.408 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.95 13.34 16.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.361 -0.837 . . . . 0.0 110.461 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.14 -59.34 1.87 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.941 . . . . 0.0 110.082 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.35 -40.61 58.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.231 0.539 . . . . 0.0 110.139 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -28.49 66.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.452 -0.78 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -81.45 -33.21 32.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.492 -0.755 . . . . 0.0 110.221 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.61 60.85 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.392 -0.818 . . . . 0.0 110.343 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.39 -53.8 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 119.475 1.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 3' ' ' TRP . 1.3 pp -141.42 -160.79 1.12 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.3 -1.118 . . . . 0.0 110.167 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.439 ' HB2' HD12 ' A' ' 2' ' ' LEU . 0.3 OUTLIER 55.26 34.76 23.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.287 -0.883 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 t -142.91 74.13 1.43 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.42 -0.8 . . . . 0.0 110.182 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.62 176.8 6.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.417 -0.802 . . . . 0.0 110.176 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' ILE . 4.3 mp -104.38 11.81 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.272 -0.892 . . . . 0.0 110.462 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -72.94 -66.38 0.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.154 -0.966 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.17 -26.73 28.6 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.371 -0.831 . . . . 0.0 110.197 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . . . -55.97 -35.1 66.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.656 -0.653 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.47 -51.27 55.77 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -53.41 -26.01 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -1.115 . . . . 0.0 109.682 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -97.46 -18.8 18.83 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.535 -0.728 . . . . 0.0 110.284 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.79 -78.5 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.172 -0.955 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.53 61.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.465 -0.772 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.0 mmtt -76.02 69.06 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.59 -62.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.454 -0.779 . . . . 0.0 109.816 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -55.73 27.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.522 -0.736 . . . . 0.0 110.26 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.18 -55.85 7.73 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.957 -0.464 . . . . 0.0 110.938 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.78 -56.07 9.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -0.911 . . . . 0.0 109.713 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -33.56 22.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.671 -0.643 . . . . 0.0 110.563 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -60.91 2.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.781 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -55.66 -23.98 38.36 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -53.87 -66.9 0.31 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.368 -1.078 . . . . 0.0 110.333 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.81 -25.3 11.02 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.229 -0.92 . . . . 0.0 110.348 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.18 -61.98 2.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.534 -0.729 . . . . 0.0 110.121 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -54.4 -30.4 52.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.427 -0.796 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -61.26 -26.13 67.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.391 -0.818 . . . . 0.0 110.226 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.58 -61.07 2.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 57.3 t -60.36 -45.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.859 -0.526 . . . . 0.0 110.233 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -56.81 -27.2 59.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.337 -0.852 . . . . 0.0 110.456 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.89 -35.25 26.34 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.498 -0.751 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.4 -25.15 66.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.427 -0.796 . . . . 0.0 110.216 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 29' ' ' VAL . 61.5 t -54.88 -12.58 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.357 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 CA-C-N 119.402 1.001 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tp -97.47 30.88 2.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.413 -1.051 . . . . 0.0 110.235 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -143.77 174.34 10.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 0.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -122.58 48.07 1.83 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.367 -0.833 . . . . 0.0 110.15 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' CD ' ' HG2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -126.94 165.79 18.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.396 -0.815 . . . . 0.0 110.242 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' HG22 ' A' ' 6' ' ' ILE . 89.2 mt -125.59 62.65 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 5.6 mmtp -92.65 -71.75 0.63 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 110.036 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 -26.68 15.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -0.846 . . . . 0.0 110.119 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.12 -44.36 74.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.708 -0.62 . . . . 0.0 110.458 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.97 -49.96 67.73 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.23 19.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.244 -1.151 . . . . 0.0 109.622 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -94.73 -19.69 20.16 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 121.492 -0.755 . . . . 0.0 110.236 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.73 -76.72 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.226 -0.921 . . . . 0.0 110.495 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.6 61.78 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.533 -0.73 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -75.46 85.01 2.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.36 -0.838 . . . . 0.0 110.221 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.78 -62.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.82 . . . . 0.0 109.96 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.92 -57.27 9.9 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.631 0.729 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.97 24.74 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.962 -0.461 . . . . 0.0 110.982 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -59.65 2.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 110.005 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.67 58.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.508 -0.745 . . . . 0.0 110.561 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.12 -58.88 4.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.51 -24.65 24.88 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -67.59 0.27 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.216 -1.167 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -22.96 25.48 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.207 -0.933 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.33 -60.55 3.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.16 -35.53 48.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.455 -0.778 . . . . 0.0 110.532 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.95 -31.68 68.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.35 -0.844 . . . . 0.0 110.093 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -59.89 3.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.7 t -54.42 -38.21 40.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.271 0.558 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -30.52 64.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.954 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.63 -29.45 56.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.644 -0.66 . . . . 0.0 109.888 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.65 -65.65 1.0 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.497 -0.752 . . . . 0.0 110.125 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t 52.3 90.61 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.445 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 CA-C-N 119.371 0.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.95 -25.95 13.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.31 -1.112 . . . . 0.0 109.577 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.02 -24.45 16.9 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.595 -0.691 . . . . 0.0 110.017 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -75.37 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.445 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.15 63.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.54 -0.725 . . . . 0.0 110.523 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.6 tptp -71.79 67.02 0.57 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.348 -0.845 . . . . 0.0 110.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.54 -62.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.907 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.62 -55.42 26.01 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.696 0.76 . . . . 0.0 110.461 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.16 -50.42 11.35 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -58.16 3.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.274 -0.891 . . . . 0.0 109.745 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -29.48 15.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.59 -0.694 . . . . 0.0 110.532 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.97 1.99 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.097 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.772 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -57.78 -23.78 51.55 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -55.79 -67.79 0.26 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -1.126 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.72 -23.89 19.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.251 -0.906 . . . . 0.0 110.252 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -60.85 -61.33 2.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.491 -0.755 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.59 -43.86 72.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.432 -0.792 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -61.97 -27.56 68.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.338 -0.851 . . . . 0.0 110.17 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -68.85 -68.2 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.377 -0.827 . . . . 0.0 110.238 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.07 -44.07 86.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.777 -0.577 . . . . 0.0 110.073 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.0 m -57.98 -21.0 42.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.0 110.5 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -88.1 -24.7 23.33 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.47 -0.769 . . . . 0.0 110.419 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.408 -179.812 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -53.25 -25.86 15.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.327 -1.102 . . . . 0.0 109.643 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -20.13 19.5 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.291 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.03 -76.76 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.209 -0.932 . . . . 0.0 110.326 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.72 -22.68 37.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.453 -0.779 . . . . 0.0 110.294 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 1.2 mmmp? -82.73 64.07 7.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.072 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.74 -62.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.377 -0.827 . . . . 0.0 109.775 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.06 -56.07 18.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.539 -0.726 . . . . 0.0 110.443 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.32 -50.94 15.62 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.97 -0.456 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -72.68 -60.74 2.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.02 -39.32 26.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.622 -0.674 . . . . 0.0 110.591 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.6 -59.68 2.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 110.063 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.749 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.57 -38.32 80.44 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.27 -67.37 0.28 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.254 -1.145 . . . . 0.0 110.197 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.26 -23.51 23.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.302 -0.874 . . . . 0.0 110.32 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.89 -61.5 2.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 110.125 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.59 -27.95 19.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.412 -0.805 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -75.84 -33.08 60.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.369 -0.832 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.95 -45.5 92.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 121.195 0.522 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 m -58.8 -28.02 65.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.87 -29.04 55.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.724 . . . . 0.0 110.176 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.348 -0.845 . . . . 0.0 110.2 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.84 -28.13 21.49 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.378 -1.072 . . . . 0.0 109.755 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.1 -20.68 19.09 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.531 -0.731 . . . . 0.0 110.162 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.1 -90.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.275 -0.891 . . . . 0.0 110.32 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.06 64.82 0.54 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.15 -0.969 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 9.3 tptt -162.45 77.32 0.48 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.273 -0.892 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 177.18 -62.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.857 . . . . 0.0 109.97 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.05 -56.34 20.93 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.611 0.719 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.02 -45.36 10.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.949 -0.469 . . . . 0.0 111.243 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -73.12 -61.97 1.63 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.0 110.052 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.63 51.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.542 -0.724 . . . . 0.0 110.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -61.09 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.378 -0.826 . . . . 0.0 110.18 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.683 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.22 -27.25 31.25 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -59.94 -67.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.323 -1.104 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -22.29 28.41 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.427 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.23 -60.7 3.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.8 . . . . 0.0 110.224 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -51.9 -46.04 64.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.543 -0.723 . . . . 0.0 110.5 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -65.35 -28.37 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -63.65 -65.87 0.62 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.97 -45.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-O 121.28 0.562 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 t -56.71 -28.3 60.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.363 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.79 -31.7 57.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 110.185 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.716 0 O-C-N 121.347 -0.846 . . . . 0.0 110.223 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -26.05 18.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.312 -1.11 . . . . 0.0 109.87 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.56 -16.1 17.6 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.556 -0.715 . . . . 0.0 110.443 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.04 -80.83 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.179 -0.951 . . . . 0.0 110.391 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.23 -22.89 61.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.383 -0.823 . . . . 0.0 110.175 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -94.4 65.87 3.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.166 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.6 -63.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 109.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.23 27.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 110.372 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.51 -46.55 13.94 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.987 -0.446 . . . . 0.0 111.122 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.14 -62.5 1.49 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.227 -0.921 . . . . 0.0 110.166 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.77 -41.02 61.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.496 -0.752 . . . . 0.0 110.796 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.54 -60.05 2.7 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.243 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.776 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -52.23 -37.13 46.52 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -68.17 0.23 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -1.133 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.83 28.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.24 -61.38 2.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.119 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.91 -25.28 11.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.413 -0.804 . . . . 0.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -60.97 -31.93 71.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -60.87 2.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.19 -43.15 81.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 O-C-N 121.76 -0.587 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -57.31 -28.33 62.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.387 -0.821 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.46 -28.71 56.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.077 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.423 -0.798 . . . . 0.0 110.193 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.423 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -53.99 -25.75 22.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.3 -1.117 . . . . 0.0 109.641 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.82 -18.24 22.23 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.319 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.75 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.287 -0.883 . . . . 0.0 110.476 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.51 57.21 2.36 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.484 -0.76 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -170.44 54.14 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.045 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.87 -63.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.363 -0.835 . . . . 0.0 109.763 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.07 -53.97 45.85 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.759 0.79 . . . . 0.0 110.205 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.29 -52.68 9.39 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.039 0.447 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.03 -60.09 2.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.324 -0.86 . . . . 0.0 109.982 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.19 26.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.595 -0.69 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.02 -61.1 1.89 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.84 . . . . 0.0 110.173 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.734 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -54.68 -27.88 44.28 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -56.96 -67.26 0.33 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.272 -1.134 . . . . 0.0 110.203 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.81 -23.34 29.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 110.238 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.43 -61.68 2.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -53.7 -34.42 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.518 -0.739 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.89 73.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.355 -0.841 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -61.25 2.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.233 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.22 -41.9 78.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.822 -0.549 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 t -56.91 -24.68 54.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.09 -26.89 33.23 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.4 -0.813 . . . . 0.0 110.236 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 110.231 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -25.94 14.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -1.084 . . . . 0.0 109.834 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -99.86 -16.25 18.1 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.51 -0.744 . . . . 0.0 110.47 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.74 -81.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.181 -0.949 . . . . 0.0 110.436 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.11 66.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.468 -0.77 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -93.6 78.26 4.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.6 -62.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.355 -0.841 . . . . 0.0 109.936 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -56.77 13.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.498 -0.751 . . . . 0.0 110.52 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.69 -51.24 16.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.872 -0.517 . . . . 0.0 111.001 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -57.75 3.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.363 -0.835 . . . . 0.0 109.919 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.26 -30.19 16.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.557 -0.714 . . . . 0.0 110.702 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -60.95 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.305 -0.872 . . . . 0.0 110.09 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.698 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -59.72 -24.5 60.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -57.23 -66.51 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.288 -1.125 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -24.23 12.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.187 -0.945 . . . . 0.0 110.354 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.04 -61.23 2.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.485 -0.76 . . . . 0.0 110.15 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -55.1 -31.68 61.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.501 -0.749 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -25.45 66.69 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.382 -0.824 . . . . 0.0 110.293 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -60.95 3.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 110.415 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.14 -45.73 92.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.758 -0.589 . . . . 0.0 110.073 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -25.68 60.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.324 -0.86 . . . . 0.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.58 -33.75 41.4 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.595 -0.691 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.452 -0.78 . . . . 0.0 110.248 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.397 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -55.29 -23.73 24.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.25 -1.147 . . . . 0.0 109.869 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -106.32 -9.97 16.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.422 -0.799 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.47 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.109 -0.994 . . . . 0.0 110.612 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.92 -27.15 67.98 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.344 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 5.3 mptt -68.36 76.13 0.26 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.79 -63.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.13 -56.63 18.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.481 -0.762 . . . . 0.0 110.51 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.91 -54.57 7.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.919 -0.488 . . . . 0.0 111.224 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HE3' ' CA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.52 -58.5 4.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.219 -0.925 . . . . 0.0 109.892 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.7 -30.59 14.15 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.657 -0.652 . . . . 0.0 110.617 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -61.23 1.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.468 -0.77 . . . . 0.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.696 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -58.23 -28.29 61.4 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -57.76 -67.93 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.331 -1.099 . . . . 0.0 110.34 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -21.77 40.54 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.32 -0.862 . . . . 0.0 110.325 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.35 -60.37 3.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.445 -0.784 . . . . 0.0 110.142 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -51.88 -38.5 56.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.617 -0.677 . . . . 0.0 110.485 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -73.01 -24.39 60.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.412 -0.805 . . . . 0.0 110.367 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.32 -60.76 2.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.305 -0.872 . . . . 0.0 110.467 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.37 -43.78 87.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.122 0.486 . . . . 0.0 110.265 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -57.28 -28.41 62.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.89 -29.25 50.17 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.552 -0.718 . . . . 0.0 110.209 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.415 -0.803 . . . . 0.0 110.218 -179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.437 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -53.15 -30.22 35.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.277 -1.131 . . . . 0.0 109.511 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.22 -25.19 20.73 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.625 -0.672 . . . . 0.0 109.918 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.94 -73.17 0.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.843 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -26.64 21.29 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.554 -0.716 . . . . 0.0 110.484 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 2.6 tptp -90.85 52.86 2.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.372 -0.83 . . . . 0.0 110.087 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.4 -63.17 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.399 -0.813 . . . . 0.0 109.8 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.27 48.91 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.784 0.802 . . . . 0.0 110.098 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.9 -51.21 5.62 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.58 -59.58 2.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.317 -0.865 . . . . 0.0 109.73 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.06 -30.67 6.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.66 -0.65 . . . . 0.0 110.714 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -60.68 2.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.401 -0.812 . . . . 0.0 110.101 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.78 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -64.66 -38.23 95.4 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -67.25 0.28 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.243 -1.151 . . . . 0.0 110.37 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.54 -24.0 18.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.27 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.14 -61.9 2.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.589 -0.694 . . . . 0.0 110.171 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.88 -26.5 36.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.435 -0.791 . . . . 0.0 110.48 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.21 -26.22 66.23 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.326 -0.859 . . . . 0.0 110.184 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.28 -63.54 1.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.349 -0.844 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.24 -42.48 80.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 CA-C-O 121.241 0.543 . . . . 0.0 110.199 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -24.5 57.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.43 -29.28 19.15 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.478 -0.764 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.451 -0.78 . . . . 0.0 110.344 -179.847 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -26.61 15.77 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.319 -1.106 . . . . 0.0 109.941 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -100.16 -15.73 18.04 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.531 -0.731 . . . . 0.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.94 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.208 -0.932 . . . . 0.0 110.491 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.41 39.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.494 -0.754 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 16.7 tptt -97.48 62.88 1.73 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.55 -63.31 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.804 . . . . 0.0 109.879 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.83 -55.36 31.17 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.313 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.77 -52.24 8.61 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.056 0.455 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.14 -59.21 3.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.875 . . . . 0.0 109.781 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.36 -31.25 14.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.634 -0.666 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.17 -61.65 1.69 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.383 -0.823 . . . . 0.0 110.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -58.73 -26.09 59.7 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.65 -67.37 0.31 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.269 -1.136 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.2 -22.85 19.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.244 -0.91 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.16 -60.86 2.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.39 -43.26 64.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.462 -0.774 . . . . 0.0 110.501 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.63 -28.92 64.1 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.408 -0.808 . . . . 0.0 110.081 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.0 110.238 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.88 -41.69 80.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.19 0.519 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -27.71 60.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.326 -0.858 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.92 -29.0 49.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.521 -0.737 . . . . 0.0 110.163 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.495 -0.753 . . . . 0.0 110.182 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -52.99 -26.29 14.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.312 -1.111 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.31 -20.23 21.32 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.576 -0.703 . . . . 0.0 110.176 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.81 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.215 -0.928 . . . . 0.0 110.396 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.96 28.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.478 -0.763 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.2 mptp? -80.29 82.93 6.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.453 -0.78 . . . . 0.0 110.003 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.35 -61.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 0.0 110.008 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.27 -56.67 11.76 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.663 0.744 . . . . 0.0 110.647 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.12 -48.81 17.19 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.864 -0.523 . . . . 0.0 110.966 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -58.7 3.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 109.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -32.38 26.06 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.538 -0.726 . . . . 0.0 110.566 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.95 -60.73 2.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 110.232 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.95 -24.27 26.55 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -53.04 -66.45 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.285 -1.126 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.46 13.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.313 -0.867 . . . . 0.0 110.603 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.79 -60.87 3.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.461 -0.774 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.2 mp -53.87 -22.68 10.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.441 -0.787 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -90.67 23.57 3.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.193 -0.942 . . . . 0.0 110.403 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.54 -59.23 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 110.004 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.57 -44.61 89.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 CA-C-O 121.211 0.529 . . . . 0.0 110.131 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -29.91 58.79 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.43 -28.53 61.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.56 -0.712 . . . . 0.0 109.947 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.485 -0.759 . . . . 0.0 110.225 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.403 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -26.78 18.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.193 -1.18 . . . . 0.0 109.815 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.77 -16.99 19.63 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.583 -0.698 . . . . 0.0 110.367 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.5 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.169 -0.957 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -24.37 56.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.4 -0.812 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -90.13 89.27 7.6 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.5 -62.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -54.04 -57.68 10.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.536 -0.728 . . . . 0.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.75 15.08 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.86 -0.525 . . . . 0.0 111.154 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -62.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.123 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.74 45.96 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.532 -0.73 . . . . 0.0 110.73 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -63.78 -57.23 10.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 110.104 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.713 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -49.56 -34.74 20.84 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -59.69 -67.73 0.35 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.224 -1.163 . . . . 0.0 110.179 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.23 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.239 -0.913 . . . . 0.0 110.241 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.36 -61.07 2.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.416 -0.803 . . . . 0.0 110.089 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.73 -27.68 18.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.49 -0.756 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.62 -17.62 64.17 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.338 -0.852 . . . . 0.0 110.333 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.36 1.83 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.301 -0.875 . . . . 0.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.04 -42.82 83.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.796 -0.565 . . . . 0.0 110.205 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -57.11 -27.35 61.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.356 -0.84 . . . . 0.0 110.332 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -78.11 -32.37 50.49 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.58 -0.7 . . . . 0.0 110.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.394 -0.817 . . . . 0.0 110.244 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -53.11 -26.15 15.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.346 -1.091 . . . . 0.0 109.748 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -96.66 -16.89 20.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.524 -0.735 . . . . 0.0 110.35 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.094 -1.004 . . . . 0.0 110.605 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -25.33 60.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.524 -0.735 . . . . 0.0 110.421 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -77.44 86.37 3.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.16 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.03 -62.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.423 -0.798 . . . . 0.0 109.994 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.85 -56.66 12.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.588 -0.695 . . . . 0.0 110.79 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.69 9.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.981 -0.449 . . . . 0.0 111.136 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -58.64 4.67 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.143 -0.973 . . . . 0.0 109.529 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.51 13.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.68 -0.637 . . . . 0.0 110.565 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 -61.54 1.73 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.381 -0.824 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.708 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -61.03 -24.46 62.97 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -55.57 -66.32 0.44 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.267 -1.137 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.302 -0.874 . . . . 0.0 110.398 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.64 -62.02 2.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.507 -0.746 . . . . 0.0 110.151 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -56.59 -31.83 64.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.471 -0.768 . . . . 0.0 110.262 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.38 -26.77 65.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.402 -0.811 . . . . 0.0 110.17 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.41 -60.7 3.13 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.383 -0.823 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.66 -44.7 94.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.5 t -58.6 -33.03 69.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.266 -0.896 . . . . 0.0 110.409 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -33.9 69.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.545 -0.722 . . . . 0.0 110.046 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.432 -0.792 . . . . 0.0 110.169 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -52.63 -27.3 16.51 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.284 -1.127 . . . . 0.0 109.49 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 15' ' ' LYS . 5.6 mm-40 -88.57 -22.39 23.57 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.621 -0.674 . . . . 0.0 110.041 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -71.53 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.2 -0.938 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.24 61.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.566 -0.709 . . . . 0.0 110.259 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -73.46 63.76 0.81 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.321 -0.862 . . . . 0.0 110.069 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.85 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.384 -0.822 . . . . 0.0 109.707 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.16 -55.22 37.77 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.691 0.758 . . . . 0.0 110.188 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.35 11.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.875 -0.515 . . . . 0.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -61.08 1.9 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.859 . . . . 0.0 109.851 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.98 -38.64 23.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.594 -0.691 . . . . 0.0 110.769 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -60.36 2.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 110.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.81 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.66 -31.05 60.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -66.85 0.32 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.206 -1.173 . . . . 0.0 110.237 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.69 -25.95 12.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.285 -0.884 . . . . 0.0 110.091 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -64.37 -62.52 1.55 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.582 -0.699 . . . . 0.0 109.927 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -60.4 -27.86 67.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.38 -0.825 . . . . 0.0 110.226 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -57.96 -21.89 46.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.43 -0.794 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.38 -70.49 0.42 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -0.928 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.2 -43.5 85.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 O-C-N 121.803 -0.56 . . . . 0.0 110.305 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 p -56.89 -28.04 61.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.342 -0.849 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 -32.27 59.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.568 -0.707 . . . . 0.0 110.111 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 110.117 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -53.13 -26.84 18.19 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -1.133 . . . . 0.0 109.73 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.84 -19.25 19.74 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.45 -0.781 . . . . 0.0 110.291 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.89 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.215 -0.928 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.09 -28.54 62.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.462 -0.774 . . . . 0.0 110.239 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -86.61 88.66 7.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.358 -0.839 . . . . 0.0 110.083 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.11 -62.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 109.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.84 -56.65 12.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.558 -0.714 . . . . 0.0 110.657 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.49 -47.19 19.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.895 -0.503 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -60.73 2.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.274 -0.891 . . . . 0.0 109.935 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -32.53 29.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.611 -0.681 . . . . 0.0 110.481 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.35 -60.53 2.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.369 -0.832 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.67 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -54.77 -25.3 36.17 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -67.26 0.36 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.388 -1.066 . . . . 0.0 110.261 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -22.74 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.342 -0.849 . . . . 0.0 110.333 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.28 -60.33 3.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 110.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.57 -24.44 8.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -86.64 51.89 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.293 -0.879 . . . . 0.0 110.136 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.13 -60.21 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.4 t -59.15 -45.33 92.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.225 0.536 . . . . 0.0 110.183 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -55.65 -30.16 60.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.869 . . . . 0.0 110.248 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.67 -29.17 62.15 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.529 -0.732 . . . . 0.0 110.0 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.43 -0.794 . . . . 0.0 110.184 179.911 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.4 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -27.04 20.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.348 -1.089 . . . . 0.0 109.651 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.61 -19.57 18.95 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.552 -0.718 . . . . 0.0 110.26 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.76 -76.93 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.435 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.98 63.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.558 -0.714 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.57 73.7 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 0.0 110.027 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -177.76 -61.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 109.896 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.32 -56.19 14.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.66 0.743 . . . . 0.0 110.485 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 -45.07 22.89 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.167 0.508 . . . . 0.0 110.929 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -77.9 -59.61 2.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 110.011 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.38 39.05 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.553 -0.717 . . . . 0.0 110.755 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -61.21 1.88 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 110.123 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.738 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -57.8 -22.98 49.23 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -66.84 0.35 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.291 -1.123 . . . . 0.0 110.402 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -24.59 10.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.303 -0.873 . . . . 0.0 110.502 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.74 -61.54 2.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.503 -0.748 . . . . 0.0 110.336 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.2 mp -53.66 -24.52 14.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.449 -0.782 . . . . 0.0 110.637 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -86.83 52.46 2.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.313 -0.867 . . . . 0.0 110.076 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.67 -58.8 0.26 Allowed 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 121.768 0.794 . . . . 0.0 110.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.57 -45.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 CA-C-O 121.231 0.538 . . . . 0.0 110.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.6 t -58.82 -27.23 64.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.15 -31.16 38.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 110.24 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -53.69 -25.7 19.51 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.378 -1.072 . . . . 0.0 109.74 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.35 -20.08 16.7 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.623 -0.673 . . . . 0.0 110.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.86 -79.11 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 110.569 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.9 -27.4 51.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.442 -0.786 . . . . 0.0 110.546 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -80.24 63.59 4.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.289 -0.882 . . . . 0.0 110.277 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.81 -63.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.862 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.26 -55.48 34.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.48 -0.763 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -53.51 6.07 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.089 0.471 . . . . 0.0 111.186 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.73 -57.76 5.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.238 -0.914 . . . . 0.0 109.749 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.02 -29.38 12.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.661 -0.65 . . . . 0.0 110.551 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -59.56 3.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.472 -0.768 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.735 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.34 -36.0 67.83 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -67.13 0.39 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.311 -1.111 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.56 -23.28 25.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.297 -0.877 . . . . 0.0 110.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.29 -61.24 2.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.11 -24.4 17.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.426 -0.796 . . . . 0.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -36.47 71.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.288 -0.883 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.42 -61.3 1.89 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.82 -44.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.82 -0.55 . . . . 0.0 110.145 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -56.42 -28.6 59.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -28.85 60.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 110.025 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.793 . . . . 0.0 110.209 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -27.76 16.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.303 -1.116 . . . . 0.0 109.496 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.04 -24.32 22.36 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.586 -0.696 . . . . 0.0 110.009 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -72.66 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.29 -26.14 50.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.629 -0.669 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -92.8 63.99 3.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.841 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.02 -63.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.006 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.29 36.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.438 -0.789 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.57 9.49 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.956 -0.465 . . . . 0.0 111.257 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -62.06 1.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.911 . . . . 0.0 110.182 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.97 51.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.525 -0.734 . . . . 0.0 110.743 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -59.18 3.44 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.789 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -52.39 -39.95 52.92 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.42 -67.75 0.24 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.221 -1.164 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -24.05 28.75 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -62.26 -62.18 1.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.486 -0.759 . . . . 0.0 110.157 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -56.08 -34.15 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.49 -0.756 . . . . 0.0 110.359 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -87.64 52.95 2.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 109.981 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.75 -59.58 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.828 0.823 . . . . 0.0 110.118 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.68 -45.97 90.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-O 121.244 0.545 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -28.66 65.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.439 -0.788 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -29.14 50.29 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.497 -0.752 . . . . 0.0 110.166 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.378 -0.826 . . . . 0.0 110.17 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.458 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -54.53 -25.07 23.54 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.296 -1.12 . . . . 0.0 109.725 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -100.32 -13.53 18.78 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.578 -0.701 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.25 -81.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.929 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -24.6 63.99 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.826 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.4 tptm -91.42 73.54 6.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.201 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.62 -62.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.379 -0.826 . . . . 0.0 109.965 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.34 -56.08 22.09 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.514 -0.741 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.06 -46.89 11.76 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.967 -0.458 . . . . 0.0 111.214 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.61 -61.12 1.98 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.95 . . . . 0.0 110.03 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.64 44.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.53 -0.731 . . . . 0.0 110.686 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -60.5 2.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.369 -0.832 . . . . 0.0 110.259 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.685 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.42 -31.26 43.02 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -59.69 -68.29 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -1.093 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.46 38.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.68 -60.5 3.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.382 -0.824 . . . . 0.0 110.178 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.01 -27.58 14.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.0 110.408 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.95 13.34 16.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.361 -0.837 . . . . 0.0 110.461 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.14 -59.34 1.87 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.941 . . . . 0.0 110.082 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.35 -40.61 58.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.231 0.539 . . . . 0.0 110.139 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -28.49 66.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.452 -0.78 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -81.45 -33.21 32.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.492 -0.755 . . . . 0.0 110.221 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.748 0 O-C-N 121.392 -0.818 . . . . 0.0 110.343 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -53.41 -26.01 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -1.115 . . . . 0.0 109.682 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -97.46 -18.8 18.83 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.535 -0.728 . . . . 0.0 110.284 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.79 -78.5 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.172 -0.955 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.53 61.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.465 -0.772 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.0 mmtt -76.02 69.06 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.59 -62.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.454 -0.779 . . . . 0.0 109.816 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -55.73 27.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.522 -0.736 . . . . 0.0 110.26 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.18 -55.85 7.73 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.957 -0.464 . . . . 0.0 110.938 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.78 -56.07 9.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -0.911 . . . . 0.0 109.713 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -33.56 22.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.671 -0.643 . . . . 0.0 110.563 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -60.91 2.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.781 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -55.66 -23.98 38.36 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -53.87 -66.9 0.31 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.368 -1.078 . . . . 0.0 110.333 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.81 -25.3 11.02 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.229 -0.92 . . . . 0.0 110.348 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.18 -61.98 2.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.534 -0.729 . . . . 0.0 110.121 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -54.4 -30.4 52.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.427 -0.796 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -61.26 -26.13 67.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.391 -0.818 . . . . 0.0 110.226 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.58 -61.07 2.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.36 -45.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.859 -0.526 . . . . 0.0 110.233 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -56.81 -27.2 59.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.337 -0.852 . . . . 0.0 110.456 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.89 -35.25 26.34 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.498 -0.751 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.427 -0.796 . . . . 0.0 110.216 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.23 19.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.244 -1.151 . . . . 0.0 109.622 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -94.73 -19.69 20.16 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 121.492 -0.755 . . . . 0.0 110.236 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.73 -76.72 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.226 -0.921 . . . . 0.0 110.495 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.6 61.78 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.533 -0.73 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -75.46 85.01 2.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.36 -0.838 . . . . 0.0 110.221 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.78 -62.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.82 . . . . 0.0 109.96 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.92 -57.27 9.9 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.631 0.729 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.97 24.74 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.962 -0.461 . . . . 0.0 110.982 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -59.65 2.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 110.005 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.67 58.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.508 -0.745 . . . . 0.0 110.561 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.12 -58.88 4.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.51 -24.65 24.88 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -67.59 0.27 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.216 -1.167 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -22.96 25.48 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.207 -0.933 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.33 -60.55 3.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.16 -35.53 48.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.455 -0.778 . . . . 0.0 110.532 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.95 -31.68 68.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.35 -0.844 . . . . 0.0 110.093 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -59.89 3.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.7 t -54.42 -38.21 40.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.271 0.558 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -30.52 64.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.954 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.63 -29.45 56.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.644 -0.66 . . . . 0.0 109.888 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.497 -0.752 . . . . 0.0 110.125 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.42 145.6 4.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.35 -1.088 . . . . 0.0 110.233 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.77 31.64 2.87 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.448 -0.783 . . . . 0.0 110.114 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.2 m 52.16 -171.56 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.394 -0.816 . . . . 0.0 110.531 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -162.8 -47.11 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.295 -0.878 . . . . 0.0 110.228 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 6' ' ' ILE . 8.8 mt -117.26 66.33 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.37 -0.831 . . . . 0.0 109.975 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -109.29 -50.18 3.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.358 -0.839 . . . . 0.0 110.169 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.95 70.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.431 -0.793 . . . . 0.0 110.164 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.14 -54.44 7.77 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.713 -0.617 . . . . 0.0 110.325 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.48 -49.4 74.19 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -52.95 -25.95 13.57 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.31 -1.112 . . . . 0.0 109.577 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -95.02 -24.45 16.9 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.595 -0.691 . . . . 0.0 110.017 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -75.37 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.344 -0.848 . . . . 0.0 110.445 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -37.15 63.87 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.54 -0.725 . . . . 0.0 110.523 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.6 tptp -71.79 67.02 0.57 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.348 -0.845 . . . . 0.0 110.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.54 -62.82 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.388 -0.82 . . . . 0.0 109.907 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.62 -55.42 26.01 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.696 0.76 . . . . 0.0 110.461 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.16 -50.42 11.35 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -58.16 3.64 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.274 -0.891 . . . . 0.0 109.745 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -29.48 15.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.59 -0.694 . . . . 0.0 110.532 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.39 -60.97 1.99 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.097 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.772 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -57.78 -23.78 51.55 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -55.79 -67.79 0.26 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.286 -1.126 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.72 -23.89 19.69 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.251 -0.906 . . . . 0.0 110.252 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -60.85 -61.33 2.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.491 -0.755 . . . . 0.0 110.199 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.59 -43.86 72.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.432 -0.792 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -61.97 -27.56 68.94 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.338 -0.851 . . . . 0.0 110.17 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -68.85 -68.2 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.377 -0.827 . . . . 0.0 110.238 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.07 -44.07 86.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 O-C-N 121.777 -0.577 . . . . 0.0 110.073 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.616 ' O ' HG12 ' A' ' 33' ' ' VAL . 75.0 m -57.98 -21.0 42.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.0 110.5 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -88.1 -24.7 23.33 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.47 -0.769 . . . . 0.0 110.419 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.81 -30.29 32.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.373 -0.829 . . . . 0.0 110.408 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 30' ' ' SER . 10.7 p -55.32 -43.39 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.388 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . 0.541 ' N ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.307 -1.273 0 CA-C-N 119.42 1.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tp -81.76 92.92 6.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.403 -1.057 . . . . 0.0 110.137 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 52.31 51.49 16.14 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.358 -0.839 . . . . 0.0 110.452 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 t -104.86 -27.68 11.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 0.0 110.339 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -33.19 75.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.238 -0.914 . . . . 0.0 110.148 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 9.0 tp -96.47 -19.5 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.453 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -55.86 -48.08 76.16 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.26 -0.9 . . . . 0.0 110.421 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.56 -27.53 67.02 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 6' ' ' ILE . . . -54.03 -57.54 10.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.673 -0.642 . . . . 0.0 110.477 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.37 -51.27 57.64 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -53.25 -25.86 15.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.327 -1.102 . . . . 0.0 109.643 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -20.13 19.5 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.291 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.03 -76.76 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.209 -0.932 . . . . 0.0 110.326 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.72 -22.68 37.07 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.453 -0.779 . . . . 0.0 110.294 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 1.2 mmmp? -82.73 64.07 7.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.318 -0.864 . . . . 0.0 110.072 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.74 -62.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.377 -0.827 . . . . 0.0 109.775 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.06 -56.07 18.94 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.539 -0.726 . . . . 0.0 110.443 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.32 -50.94 15.62 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.97 -0.456 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -72.68 -60.74 2.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.02 -39.32 26.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.622 -0.674 . . . . 0.0 110.591 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.6 -59.68 2.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.369 -0.832 . . . . 0.0 110.063 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.749 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.57 -38.32 80.44 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.017 -1.233 . . . . 0.0 110.017 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -55.27 -67.37 0.28 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.254 -1.145 . . . . 0.0 110.197 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.26 -23.51 23.26 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.302 -0.874 . . . . 0.0 110.32 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.89 -61.5 2.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.471 -0.768 . . . . 0.0 110.125 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.59 -27.95 19.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.412 -0.805 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -75.84 -33.08 60.03 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.337 -0.852 . . . . 0.0 110.073 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.369 -0.832 . . . . 0.0 110.194 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.95 -45.5 92.0 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 CA-C-O 121.195 0.522 . . . . 0.0 110.056 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.5 m -58.8 -28.02 65.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.406 -0.809 . . . . 0.0 110.265 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -76.87 -29.04 55.64 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.542 -0.724 . . . . 0.0 110.176 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.18 -45.96 86.08 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.348 -0.845 . . . . 0.0 110.2 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.75 -42.64 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.195 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 CA-C-N 119.4 1.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.58 -21.95 59.22 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.317 -1.108 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -67.53 77.06 0.18 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.341 -0.849 . . . . 0.0 110.074 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 p -127.57 179.68 5.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 110.167 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -70.03 163.48 26.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.338 -0.851 . . . . 0.0 110.049 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 6' ' ' ILE . 3.2 mt -95.17 18.48 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.359 -0.838 . . . . 0.0 110.374 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -78.48 -40.8 34.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.241 -0.912 . . . . 0.0 110.147 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.71 -26.84 12.12 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.4 -0.812 . . . . 0.0 110.369 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.33 -24.15 18.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.656 -0.653 . . . . 0.0 110.575 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.83 -48.86 84.12 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -52.84 -28.13 21.49 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.378 -1.072 . . . . 0.0 109.755 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -95.1 -20.68 19.09 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.531 -0.731 . . . . 0.0 110.162 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.1 -90.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.275 -0.891 . . . . 0.0 110.32 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.06 64.82 0.54 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.15 -0.969 . . . . 0.0 110.24 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 9.3 tptt -162.45 77.32 0.48 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.273 -0.892 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 177.18 -62.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.857 . . . . 0.0 109.97 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.05 -56.34 20.93 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-O 121.611 0.719 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.02 -45.36 10.67 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.949 -0.469 . . . . 0.0 111.243 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -73.12 -61.97 1.63 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.0 110.052 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.63 51.43 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.542 -0.724 . . . . 0.0 110.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.5 -61.09 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.378 -0.826 . . . . 0.0 110.18 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.683 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.22 -27.25 31.25 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -59.94 -67.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.323 -1.104 . . . . 0.0 110.221 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.21 -22.29 28.41 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.285 -0.884 . . . . 0.0 110.427 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.23 -60.7 3.22 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.419 -0.8 . . . . 0.0 110.224 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -51.9 -46.04 64.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.543 -0.723 . . . . 0.0 110.5 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -65.35 -28.37 69.24 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.337 -0.852 . . . . 0.0 110.124 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -63.65 -65.87 0.62 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 110.346 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.97 -45.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-O 121.28 0.562 . . . . 0.0 110.228 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 t -56.71 -28.3 60.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.309 -0.869 . . . . 0.0 110.363 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.79 -31.7 57.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 110.185 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.41 96.81 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.347 -0.846 . . . . 0.0 110.223 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -57.4 -53.72 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.227 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 CA-C-N 119.433 1.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.2 mt -97.8 -174.36 2.87 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.408 -1.054 . . . . 0.0 110.213 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -160.26 39.97 0.18 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.427 -0.796 . . . . 0.0 110.172 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -148.47 48.0 1.03 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.441 -0.787 . . . . 0.0 110.116 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -84.79 -178.28 6.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.419 -0.801 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -122.88 -40.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.309 -0.869 . . . . 0.0 110.18 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -63.43 1.38 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.356 -0.84 . . . . 0.0 110.26 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.8 66.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 110.338 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.17 -37.98 62.39 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.667 -0.646 . . . . 0.0 110.437 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.46 59.54 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -26.05 18.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.312 -1.11 . . . . 0.0 109.87 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -100.56 -16.1 17.6 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.556 -0.715 . . . . 0.0 110.443 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.04 -80.83 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.179 -0.951 . . . . 0.0 110.391 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.23 -22.89 61.78 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.383 -0.823 . . . . 0.0 110.175 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -94.4 65.87 3.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.166 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.6 -63.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.904 . . . . 0.0 109.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.57 -55.23 27.44 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 110.372 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.51 -46.55 13.94 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.987 -0.446 . . . . 0.0 111.122 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.14 -62.5 1.49 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.227 -0.921 . . . . 0.0 110.166 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.77 -41.02 61.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.496 -0.752 . . . . 0.0 110.796 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.54 -60.05 2.7 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.243 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.776 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -52.23 -37.13 46.52 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -68.17 0.23 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.274 -1.133 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.83 28.9 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.262 -0.899 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.24 -61.38 2.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.46 -0.775 . . . . 0.0 110.119 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.91 -25.28 11.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.413 -0.804 . . . . 0.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -60.97 -31.93 71.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.332 -0.855 . . . . 0.0 110.18 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.69 -60.87 2.61 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.383 -0.823 . . . . 0.0 110.254 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.19 -43.15 81.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.834 0 O-C-N 121.76 -0.587 . . . . 0.0 110.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 m -57.31 -28.33 62.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.387 -0.821 . . . . 0.0 110.163 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -76.46 -28.71 56.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.077 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.95 -55.5 5.7 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.423 -0.798 . . . . 0.0 110.193 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.09 -18.72 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.364 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 CA-C-N 119.442 1.019 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 2' ' ' LEU . 18.9 tp -86.33 74.1 10.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.337 -1.096 . . . . 0.0 110.132 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.33 91.24 0.37 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.339 -0.85 . . . . 0.0 110.091 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -141.99 -47.95 0.36 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.342 -0.849 . . . . 0.0 110.251 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.699 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 18.6 mttp -61.66 138.8 58.33 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.313 -0.867 . . . . 0.0 110.213 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -116.25 -62.39 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.347 -0.846 . . . . 0.0 110.169 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -33.03 74.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.409 -0.807 . . . . 0.0 110.044 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.91 -25.97 22.96 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.447 -0.783 . . . . 0.0 110.26 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -52.18 -29.61 23.08 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.658 -0.651 . . . . 0.0 110.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.04 -48.93 80.01 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -53.99 -25.75 22.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.3 -1.117 . . . . 0.0 109.641 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.82 -18.24 22.23 Favored 'General case' 0 N--CA 1.484 1.26 0 O-C-N 121.562 -0.711 . . . . 0.0 110.319 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.75 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.287 -0.883 . . . . 0.0 110.476 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.51 57.21 2.36 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.484 -0.76 . . . . 0.0 110.277 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -170.44 54.14 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.045 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.87 -63.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.363 -0.835 . . . . 0.0 109.763 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.07 -53.97 45.85 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 121.759 0.79 . . . . 0.0 110.205 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.29 -52.68 9.39 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.039 0.447 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.03 -60.09 2.42 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.324 -0.86 . . . . 0.0 109.982 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.29 -35.19 26.25 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.595 -0.69 . . . . 0.0 110.661 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.02 -61.1 1.89 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.355 -0.84 . . . . 0.0 110.173 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.734 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -54.68 -27.88 44.28 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -56.96 -67.26 0.33 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.272 -1.134 . . . . 0.0 110.203 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.81 -23.34 29.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.252 -0.905 . . . . 0.0 110.238 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.43 -61.68 2.44 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -53.7 -34.42 58.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.518 -0.739 . . . . 0.0 110.403 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -32.89 73.76 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.355 -0.841 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.23 -61.25 2.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.337 -0.852 . . . . 0.0 110.233 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -57.22 -41.9 78.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 121.822 -0.549 . . . . 0.0 110.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.2 t -56.91 -24.68 54.09 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.359 -0.838 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.09 -26.89 33.23 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.4 -0.813 . . . . 0.0 110.236 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.31 -46.94 16.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.426 -0.796 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 34' ' ' NH2 . 34.5 m -56.44 -47.48 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.383 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . 0.585 ' N ' HG23 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.364 0 CA-C-N 119.453 1.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mp -129.44 175.01 9.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.371 -1.076 . . . . 0.0 110.32 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.6 m-90 -82.36 150.71 27.02 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.417 -0.802 . . . . 0.0 110.138 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 m -113.09 74.71 0.88 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.337 -0.852 . . . . 0.0 110.252 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.97 -173.9 2.96 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.333 -0.854 . . . . 0.0 110.234 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 mt -126.91 -34.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.368 -0.833 . . . . 0.0 110.325 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -60.61 -66.21 0.56 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.342 -0.849 . . . . 0.0 110.675 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.79 36.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.28 -0.888 . . . . 0.0 110.589 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.21 -23.13 33.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.566 -0.709 . . . . 0.0 110.66 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.24 -51.55 54.05 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -25.94 14.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.357 -1.084 . . . . 0.0 109.834 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -99.86 -16.25 18.1 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.51 -0.744 . . . . 0.0 110.47 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.74 -81.3 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.181 -0.949 . . . . 0.0 110.436 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.71 -27.11 66.17 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.468 -0.77 . . . . 0.0 110.163 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -93.6 78.26 4.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.424 -0.797 . . . . 0.0 110.18 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.6 -62.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.355 -0.841 . . . . 0.0 109.936 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -56.77 13.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.498 -0.751 . . . . 0.0 110.52 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.69 -51.24 16.48 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.872 -0.517 . . . . 0.0 111.001 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.04 -57.75 3.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.363 -0.835 . . . . 0.0 109.919 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.26 -30.19 16.96 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.557 -0.714 . . . . 0.0 110.702 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.86 -60.95 2.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.305 -0.872 . . . . 0.0 110.09 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.698 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -59.72 -24.5 60.04 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -57.23 -66.51 0.44 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.288 -1.125 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -24.23 12.98 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.187 -0.945 . . . . 0.0 110.354 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.04 -61.23 2.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.485 -0.76 . . . . 0.0 110.15 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -55.1 -31.68 61.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.501 -0.749 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -25.45 66.69 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.382 -0.824 . . . . 0.0 110.293 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -60.95 3.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.323 -0.861 . . . . 0.0 110.415 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.14 -45.73 92.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.758 -0.589 . . . . 0.0 110.073 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -25.68 60.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.324 -0.86 . . . . 0.0 110.263 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -79.58 -33.75 41.4 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.595 -0.691 . . . . 0.0 110.246 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.22 -26.98 68.11 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.452 -0.78 . . . . 0.0 110.248 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.7 t -56.37 -76.75 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.365 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 CA-C-N 119.414 1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.55 39.88 3.86 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.366 -1.079 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 -49.53 4.75 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.362 -0.836 . . . . 0.0 110.178 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 t -76.28 106.53 7.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.386 -0.821 . . . . 0.0 110.198 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -165.54 -42.08 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.353 -0.842 . . . . 0.0 110.084 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.62 -39.28 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.406 -0.809 . . . . 0.0 110.095 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -27.51 67.21 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.312 -0.868 . . . . 0.0 110.225 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.28 -26.43 14.52 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.316 -0.865 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -53.67 -25.0 16.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.632 -0.668 . . . . 0.0 110.501 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.58 -47.85 86.14 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -55.29 -23.73 24.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.25 -1.147 . . . . 0.0 109.869 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -106.32 -9.97 16.57 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 121.422 -0.799 . . . . 0.0 110.562 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.47 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.109 -0.994 . . . . 0.0 110.612 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.92 -27.15 67.98 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.209 -0.932 . . . . 0.0 110.344 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 5.3 mptt -68.36 76.13 0.26 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.449 -0.782 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.79 -63.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.251 -0.906 . . . . 0.0 109.938 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.13 -56.63 18.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.481 -0.762 . . . . 0.0 110.51 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.91 -54.57 7.99 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.919 -0.488 . . . . 0.0 111.224 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HE3' ' CA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.52 -58.5 4.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.219 -0.925 . . . . 0.0 109.892 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.7 -30.59 14.15 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.657 -0.652 . . . . 0.0 110.617 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -61.23 1.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.468 -0.77 . . . . 0.0 110.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.696 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -58.23 -28.29 61.4 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.856 -1.297 . . . . 0.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -57.76 -67.93 0.29 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.331 -1.099 . . . . 0.0 110.34 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.56 -21.77 40.54 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.32 -0.862 . . . . 0.0 110.325 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.35 -60.37 3.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.445 -0.784 . . . . 0.0 110.142 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -51.88 -38.5 56.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.617 -0.677 . . . . 0.0 110.485 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -73.01 -24.39 60.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.412 -0.805 . . . . 0.0 110.367 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.32 -60.76 2.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.305 -0.872 . . . . 0.0 110.467 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.37 -43.78 87.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 CA-C-O 121.122 0.486 . . . . 0.0 110.265 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -57.28 -28.41 62.98 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.393 -0.817 . . . . 0.0 110.263 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.89 -29.25 50.17 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.552 -0.718 . . . . 0.0 110.209 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.17 -53.81 6.61 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.415 -0.803 . . . . 0.0 110.218 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.53 -60.77 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.33 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 CA-C-N 119.392 0.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.72 139.4 34.68 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.344 -1.092 . . . . 0.0 110.172 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 32.2 p90 -70.63 -178.06 1.71 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.302 -0.874 . . . . 0.0 110.242 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -164.14 45.48 0.11 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.314 -0.866 . . . . 0.0 110.358 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -133.83 177.16 7.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.347 -0.845 . . . . 0.0 110.147 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 6' ' ' ILE . 79.2 mt -104.26 56.14 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.436 -0.79 . . . . 0.0 110.222 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -100.77 -68.57 0.81 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.359 -0.838 . . . . 0.0 110.069 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.1 -28.45 13.74 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.418 -0.801 . . . . 0.0 110.073 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.66 -18.35 59.17 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.738 -0.601 . . . . 0.0 110.442 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.8 -47.15 66.09 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -53.15 -30.22 35.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.277 -1.131 . . . . 0.0 109.511 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.22 -25.19 20.73 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.625 -0.672 . . . . 0.0 109.918 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.94 -73.17 0.1 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.352 -0.843 . . . . 0.0 110.354 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -26.64 21.29 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.554 -0.716 . . . . 0.0 110.484 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 2.6 tptp -90.85 52.86 2.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.372 -0.83 . . . . 0.0 110.087 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.4 -63.17 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.399 -0.813 . . . . 0.0 109.8 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.58 -54.27 48.91 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 121.784 0.802 . . . . 0.0 110.098 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.9 -51.21 5.62 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.58 -59.58 2.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.317 -0.865 . . . . 0.0 109.73 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.06 -30.67 6.6 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.66 -0.65 . . . . 0.0 110.714 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -60.68 2.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.401 -0.812 . . . . 0.0 110.101 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.78 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -64.66 -38.23 95.4 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -67.25 0.28 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.243 -1.151 . . . . 0.0 110.37 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.54 -24.0 18.98 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.266 -0.896 . . . . 0.0 110.27 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.14 -61.9 2.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.589 -0.694 . . . . 0.0 110.171 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.88 -26.5 36.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.435 -0.791 . . . . 0.0 110.48 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.21 -26.22 66.23 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.326 -0.859 . . . . 0.0 110.184 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.28 -63.54 1.05 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.349 -0.844 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.24 -42.48 80.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 CA-C-O 121.241 0.543 . . . . 0.0 110.199 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 m -57.74 -24.5 57.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -89.43 -29.28 19.15 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.478 -0.764 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -87.39 -33.87 18.97 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.451 -0.78 . . . . 0.0 110.344 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 p -54.68 -19.47 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.467 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 CA-C-N 119.375 0.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.94 9.03 26.47 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.374 -1.074 . . . . 0.0 110.589 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -88.43 -35.34 17.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.218 -0.927 . . . . 0.0 110.088 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.24 160.89 11.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 110.117 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -69.71 -158.7 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.318 -0.864 . . . . 0.0 110.056 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.9 mt -101.4 -28.27 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.251 -0.906 . . . . 0.0 110.156 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -65.63 -65.18 0.71 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 0.0 110.171 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -27.35 68.63 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.381 -0.824 . . . . 0.0 110.297 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -57.22 -24.93 57.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.713 -0.617 . . . . 0.0 110.537 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.28 -51.47 52.39 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -26.61 15.77 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.319 -1.106 . . . . 0.0 109.941 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -100.16 -15.73 18.04 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.531 -0.731 . . . . 0.0 110.416 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.94 -77.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.208 -0.932 . . . . 0.0 110.491 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.41 39.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.494 -0.754 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 16.7 tptt -97.48 62.88 1.73 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.375 -0.828 . . . . 0.0 110.168 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -179.55 -63.31 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.804 . . . . 0.0 109.879 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.83 -55.36 31.17 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.313 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.77 -52.24 8.61 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-O 121.056 0.455 . . . . 0.0 111.133 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.14 -59.21 3.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.301 -0.875 . . . . 0.0 109.781 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.36 -31.25 14.16 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.634 -0.666 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.17 -61.65 1.69 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.383 -0.823 . . . . 0.0 110.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -58.73 -26.09 59.7 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.65 -67.37 0.31 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.269 -1.136 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.2 -22.85 19.26 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.244 -0.91 . . . . 0.0 110.482 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.16 -60.86 2.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.39 -43.26 64.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.462 -0.774 . . . . 0.0 110.501 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -71.63 -28.92 64.1 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.408 -0.808 . . . . 0.0 110.081 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.0 110.238 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -57.88 -41.69 80.53 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.19 0.519 . . . . 0.0 110.262 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.78 -27.71 60.09 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.326 -0.858 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.92 -29.0 49.83 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.521 -0.737 . . . . 0.0 110.163 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.47 -52.69 8.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.495 -0.753 . . . . 0.0 110.182 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 34' ' ' NH2 . 11.0 p -56.38 -43.47 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.353 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . 0.536 ' N ' HG13 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 119.417 1.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.35 -165.41 1.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -1.107 . . . . 0.0 110.174 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -95.89 41.31 1.1 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.396 -0.815 . . . . 0.0 110.07 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 t -146.17 120.35 9.51 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.391 -0.818 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -101.43 -63.85 1.1 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.374 -0.829 . . . . 0.0 110.251 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' O ' HG22 ' A' ' 6' ' ' ILE . 84.9 mt -124.36 58.03 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.307 -0.871 . . . . 0.0 110.157 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -122.58 -39.51 2.54 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.369 -0.832 . . . . 0.0 110.216 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.1 -26.6 12.51 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.383 -0.823 . . . . 0.0 110.375 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.32 -37.02 64.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.662 -0.649 . . . . 0.0 110.572 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.17 89.12 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -52.99 -26.29 14.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.312 -1.111 . . . . 0.0 109.73 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.31 -20.23 21.32 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.576 -0.703 . . . . 0.0 110.176 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.81 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.215 -0.928 . . . . 0.0 110.396 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.08 -24.96 28.02 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.478 -0.763 . . . . 0.0 110.112 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.2 mptp? -80.29 82.93 6.23 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.453 -0.78 . . . . 0.0 110.003 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.35 -61.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.851 . . . . 0.0 110.008 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.27 -56.67 11.76 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.663 0.744 . . . . 0.0 110.647 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.12 -48.81 17.19 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.864 -0.523 . . . . 0.0 110.966 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -58.7 3.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 109.93 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.4 -32.38 26.06 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.538 -0.726 . . . . 0.0 110.566 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.95 -60.73 2.07 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 110.232 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.76 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.95 -24.27 26.55 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -53.04 -66.45 0.38 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.285 -1.126 . . . . 0.0 110.417 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.58 -24.46 13.81 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.313 -0.867 . . . . 0.0 110.603 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.79 -60.87 3.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.461 -0.774 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.2 mp -53.87 -22.68 10.42 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.441 -0.787 . . . . 0.0 110.84 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -90.67 23.57 3.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.193 -0.942 . . . . 0.0 110.403 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.54 -59.23 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 110.004 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.616 ' O ' HG22 ' A' ' 33' ' ' VAL . 40.2 t -58.57 -44.61 89.76 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 CA-C-O 121.211 0.529 . . . . 0.0 110.131 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -29.91 58.79 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.43 -28.53 61.1 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.56 -0.712 . . . . 0.0 109.947 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.35 -63.51 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.485 -0.759 . . . . 0.0 110.225 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.69 HG23 ' N ' ' A' ' 34' ' ' NH2 . 27.1 m -57.77 -96.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.454 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . 0.69 ' N ' HG23 ' A' ' 33' ' ' VAL . . . . . . . . 0 C--N 1.313 -1.02 0 CA-C-N 123.031 2.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.03 -166.94 1.8 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.402 -1.057 . . . . 0.0 110.184 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.6 m-90 -118.81 173.85 6.63 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.389 -0.819 . . . . 0.0 110.173 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.8 p -114.65 113.31 24.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.326 -0.859 . . . . 0.0 110.12 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.31 -172.63 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.366 -0.834 . . . . 0.0 110.45 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.1 mt -123.49 -37.83 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.401 -0.812 . . . . 0.0 110.18 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -60.28 -37.62 81.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.417 -0.802 . . . . 0.0 110.294 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.78 -27.11 19.11 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.365 -0.834 . . . . 0.0 110.224 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.26 -25.32 33.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.664 -0.647 . . . . 0.0 110.497 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.84 -51.64 49.58 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -26.78 18.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.193 -1.18 . . . . 0.0 109.815 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -97.77 -16.99 19.63 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.583 -0.698 . . . . 0.0 110.367 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.5 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.169 -0.957 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -24.37 56.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.4 -0.812 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -90.13 89.27 7.6 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.5 -62.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.358 -0.839 . . . . 0.0 110.113 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . -54.04 -57.68 10.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.536 -0.728 . . . . 0.0 110.649 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.82 -45.75 15.08 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.86 -0.525 . . . . 0.0 111.154 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -62.09 1.78 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.123 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.74 45.96 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.532 -0.73 . . . . 0.0 110.73 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -63.78 -57.23 10.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 0.0 110.104 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.713 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -49.56 -34.74 20.84 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -59.69 -67.73 0.35 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.224 -1.163 . . . . 0.0 110.179 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.23 34.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.239 -0.913 . . . . 0.0 110.241 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.36 -61.07 2.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.416 -0.803 . . . . 0.0 110.089 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.73 -27.68 18.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.49 -0.756 . . . . 0.0 110.419 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.62 -17.62 64.17 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.338 -0.852 . . . . 0.0 110.333 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.36 1.83 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.301 -0.875 . . . . 0.0 110.369 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.04 -42.82 83.78 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 O-C-N 121.796 -0.565 . . . . 0.0 110.205 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.1 m -57.11 -27.35 61.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.356 -0.84 . . . . 0.0 110.332 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -78.11 -32.37 50.49 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.58 -0.7 . . . . 0.0 110.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.18 -55.61 10.1 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.394 -0.817 . . . . 0.0 110.244 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -54.66 -15.03 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 CA-C-N 119.412 1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.04 165.38 20.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.375 -1.074 . . . . 0.0 110.144 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.14 163.05 40.57 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.37 -0.831 . . . . 0.0 110.17 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.6 p -139.52 46.22 1.91 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.471 -0.768 . . . . 0.0 110.154 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -120.14 -174.02 2.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.341 -0.85 . . . . 0.0 110.209 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 6' ' ' ILE . 79.6 mt -108.15 65.47 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.377 -0.827 . . . . 0.0 110.088 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.71 -55.27 1.14 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.405 -0.81 . . . . 0.0 110.197 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.11 -26.11 29.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.414 -0.804 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.65 -34.7 39.08 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.577 -0.702 . . . . 0.0 110.611 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.96 -50.92 55.68 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -53.11 -26.15 15.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.346 -1.091 . . . . 0.0 109.748 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -96.66 -16.89 20.72 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.524 -0.735 . . . . 0.0 110.35 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.46 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.094 -1.004 . . . . 0.0 110.605 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -25.33 60.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.524 -0.735 . . . . 0.0 110.421 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -77.44 86.37 3.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.16 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.03 -62.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.423 -0.798 . . . . 0.0 109.994 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.85 -56.66 12.67 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.588 -0.695 . . . . 0.0 110.79 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.98 -51.69 9.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.981 -0.449 . . . . 0.0 111.136 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -58.64 4.67 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.143 -0.973 . . . . 0.0 109.529 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.51 13.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.68 -0.637 . . . . 0.0 110.565 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.36 -61.54 1.73 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.381 -0.824 . . . . 0.0 110.099 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.708 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -61.03 -24.46 62.97 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -55.57 -66.32 0.44 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.267 -1.137 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.54 9.54 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.302 -0.874 . . . . 0.0 110.398 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.64 -62.02 2.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.507 -0.746 . . . . 0.0 110.151 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -56.59 -31.83 64.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.471 -0.768 . . . . 0.0 110.262 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.38 -26.77 65.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.402 -0.811 . . . . 0.0 110.17 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.41 -60.7 3.13 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.383 -0.823 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.66 -44.7 94.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.89 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.5 t -58.6 -33.03 69.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.266 -0.896 . . . . 0.0 110.409 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.41 -33.9 69.86 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.545 -0.722 . . . . 0.0 110.046 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.15 -26.33 68.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.432 -0.792 . . . . 0.0 110.169 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.5 t -56.31 -75.89 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 CA-C-N 119.409 1.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.66 69.54 0.68 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.408 -1.054 . . . . 0.0 110.477 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.1 t90 52.44 88.45 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.314 -0.866 . . . . 0.0 110.515 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 t -142.78 165.58 27.0 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.387 -0.82 . . . . 0.0 110.168 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -84.32 151.91 24.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.351 -0.843 . . . . 0.0 110.313 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' O ' HG22 ' A' ' 6' ' ' ILE . 50.2 mm -101.89 59.24 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.35 -0.843 . . . . 0.0 110.16 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -45.13 4.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.1 -25.74 14.82 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.365 -0.834 . . . . 0.0 110.353 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.89 -32.14 19.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.709 -0.619 . . . . 0.0 110.587 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.57 -50.73 19.02 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -52.63 -27.3 16.51 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.284 -1.127 . . . . 0.0 109.49 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 15' ' ' LYS . 5.6 mm-40 -88.57 -22.39 23.57 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.621 -0.674 . . . . 0.0 110.041 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.96 -71.53 0.07 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.2 -0.938 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.24 61.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.566 -0.709 . . . . 0.0 110.259 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -73.46 63.76 0.81 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.321 -0.862 . . . . 0.0 110.069 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 176.85 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.384 -0.822 . . . . 0.0 109.707 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.16 -55.22 37.77 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.691 0.758 . . . . 0.0 110.188 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.35 11.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.875 -0.515 . . . . 0.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -61.08 1.9 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.859 . . . . 0.0 109.851 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.98 -38.64 23.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.594 -0.691 . . . . 0.0 110.769 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -60.36 2.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 110.036 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.81 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.66 -31.05 60.12 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -66.85 0.32 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.206 -1.173 . . . . 0.0 110.237 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.69 -25.95 12.48 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.285 -0.884 . . . . 0.0 110.091 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -64.37 -62.52 1.55 Allowed 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.582 -0.699 . . . . 0.0 109.927 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -60.4 -27.86 67.78 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.38 -0.825 . . . . 0.0 110.226 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -57.96 -21.89 46.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.43 -0.794 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.38 -70.49 0.42 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -0.928 . . . . 0.0 110.358 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.7 t -58.2 -43.5 85.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 O-C-N 121.803 -0.56 . . . . 0.0 110.305 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 p -56.89 -28.04 61.36 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.342 -0.849 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -76.15 -32.27 59.01 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.568 -0.707 . . . . 0.0 110.111 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.98 79.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.349 -0.844 . . . . 0.0 110.117 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.4 t -57.96 -23.49 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 CA-C-N 119.433 1.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.459 -1.457 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 tp 52.67 66.96 1.07 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.412 -1.052 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.88 -165.69 1.3 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.178 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.59 113.49 21.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.321 -0.862 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -121.47 -68.74 0.88 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.35 -0.844 . . . . 0.0 110.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' O ' HG22 ' A' ' 6' ' ' ILE . 81.1 mt -104.93 48.13 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.423 -0.798 . . . . 0.0 110.073 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.51 -32.47 7.69 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.376 -0.827 . . . . 0.0 110.168 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.0 -26.56 20.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.401 -0.812 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.66 69.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.675 -0.641 . . . . 0.0 110.423 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.96 70.7 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -53.13 -26.84 18.19 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.273 -1.133 . . . . 0.0 109.73 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -95.84 -19.25 19.74 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.45 -0.781 . . . . 0.0 110.291 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.89 -76.3 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.215 -0.928 . . . . 0.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.09 -28.54 62.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.462 -0.774 . . . . 0.0 110.239 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -86.61 88.66 7.7 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.358 -0.839 . . . . 0.0 110.083 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.11 -62.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.377 -0.827 . . . . 0.0 109.944 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.84 -56.65 12.73 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.558 -0.714 . . . . 0.0 110.657 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.49 -47.19 19.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.895 -0.503 . . . . 0.0 110.996 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.72 -60.73 2.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.274 -0.891 . . . . 0.0 109.935 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -32.53 29.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.611 -0.681 . . . . 0.0 110.481 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.35 -60.53 2.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.369 -0.832 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.67 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -54.77 -25.3 36.17 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -67.26 0.36 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.388 -1.066 . . . . 0.0 110.261 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.78 -22.74 25.97 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.342 -0.849 . . . . 0.0 110.333 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.28 -60.33 3.79 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 110.134 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.57 -24.44 8.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.497 -0.752 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -86.64 51.89 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.293 -0.879 . . . . 0.0 110.136 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.13 -60.21 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.393 -0.817 . . . . 0.0 110.082 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.4 t -59.15 -45.33 92.77 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.845 0 CA-C-O 121.225 0.536 . . . . 0.0 110.183 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -55.65 -30.16 60.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.309 -0.869 . . . . 0.0 110.248 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.67 -29.17 62.15 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.529 -0.732 . . . . 0.0 110.0 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.49 -57.18 4.04 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.43 -0.794 . . . . 0.0 110.184 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.4 m -56.66 -15.51 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 119.378 0.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 2' ' ' LEU . 9.6 tt -114.25 89.05 3.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.335 -1.097 . . . . 0.0 110.205 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -136.0 24.6 3.31 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.381 -0.825 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.6 t 51.99 26.23 3.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.275 -0.89 . . . . 0.0 110.635 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.514 ' HE3' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -81.05 -166.39 1.12 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.372 -0.83 . . . . 0.0 110.187 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 6' ' ' ILE . 3.9 tp -92.27 50.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.296 -0.877 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -92.23 -55.74 3.31 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.367 -0.833 . . . . 0.0 110.002 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.27 -27.17 12.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.407 -0.808 . . . . 0.0 110.153 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.59 -30.96 63.78 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.735 -0.603 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.62 -49.93 71.54 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -27.04 20.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.348 -1.089 . . . . 0.0 109.651 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.61 -19.57 18.95 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.552 -0.718 . . . . 0.0 110.26 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.76 -76.93 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.14 -0.975 . . . . 0.0 110.435 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -28.98 63.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.558 -0.714 . . . . 0.0 110.216 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -91.57 73.7 5.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.318 -0.864 . . . . 0.0 110.027 179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . -177.76 -61.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.422 -0.799 . . . . 0.0 109.896 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.32 -56.19 14.37 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.66 0.743 . . . . 0.0 110.485 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 -45.07 22.89 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.167 0.508 . . . . 0.0 110.929 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -77.9 -59.61 2.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 110.011 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.42 -35.38 39.05 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.553 -0.717 . . . . 0.0 110.755 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 -61.21 1.88 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 110.123 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.738 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -57.8 -22.98 49.23 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -66.84 0.35 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.291 -1.123 . . . . 0.0 110.402 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.1 -24.59 10.55 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.303 -0.873 . . . . 0.0 110.502 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -59.74 -61.54 2.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.503 -0.748 . . . . 0.0 110.336 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.2 mp -53.66 -24.52 14.58 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.449 -0.782 . . . . 0.0 110.637 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -86.83 52.46 2.52 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.313 -0.867 . . . . 0.0 110.076 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.67 -58.8 0.26 Allowed 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 121.768 0.794 . . . . 0.0 110.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.57 -45.39 86.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 CA-C-O 121.231 0.538 . . . . 0.0 110.064 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.6 t -58.82 -27.23 64.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.389 -0.819 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -80.15 -31.16 38.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.524 -0.735 . . . . 0.0 110.136 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.41 -50.64 20.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.359 -0.838 . . . . 0.0 110.24 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.15 -3.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.569 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 CA-C-N 119.406 1.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.1 -73.03 0.13 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.347 -1.09 . . . . 0.0 110.134 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -73.46 145.84 45.41 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 0.0 110.128 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -59.53 140.89 55.89 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.37 -0.831 . . . . 0.0 110.232 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.47 -178.96 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.358 -0.839 . . . . 0.0 110.453 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 HG23 ' HB3' ' A' ' 9' ' ' ALA . 86.6 mt -96.02 65.0 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.428 -0.795 . . . . 0.0 110.15 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -31.3 11.88 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.326 -0.859 . . . . 0.0 110.133 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.54 -27.6 12.26 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.311 -0.868 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.608 ' HB3' HG23 ' A' ' 6' ' ' ILE . . . -55.56 -23.33 26.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.646 -0.659 . . . . 0.0 110.445 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.41 -48.72 84.61 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -53.69 -25.7 19.51 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.378 -1.072 . . . . 0.0 109.74 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.35 -20.08 16.7 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.623 -0.673 . . . . 0.0 110.287 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.86 -79.11 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.282 -0.886 . . . . 0.0 110.569 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.9 -27.4 51.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.442 -0.786 . . . . 0.0 110.546 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -80.24 63.59 4.78 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.289 -0.882 . . . . 0.0 110.277 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.81 -63.08 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.862 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.26 -55.48 34.25 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.48 -0.763 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.91 -53.51 6.07 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.089 0.471 . . . . 0.0 111.186 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.73 -57.76 5.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.238 -0.914 . . . . 0.0 109.749 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.02 -29.38 12.39 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.661 -0.65 . . . . 0.0 110.551 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -59.56 3.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.472 -0.768 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.735 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -56.34 -36.0 67.83 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -67.13 0.39 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.311 -1.111 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.56 -23.28 25.91 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.297 -0.877 . . . . 0.0 110.184 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.29 -61.24 2.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.735 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -54.11 -24.4 17.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.426 -0.796 . . . . 0.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.58 -36.47 71.76 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.288 -0.883 . . . . 0.0 110.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.42 -61.3 1.89 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.82 -44.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 O-C-N 121.82 -0.55 . . . . 0.0 110.145 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -56.42 -28.6 59.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.379 -0.826 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -28.85 60.21 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.585 -0.697 . . . . 0.0 110.025 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.39 -36.96 74.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.432 -0.793 . . . . 0.0 110.209 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -56.82 -72.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.266 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.291 0 CA-C-N 119.4 1.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 2' ' ' LEU . 4.9 mp -119.67 31.48 6.53 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.376 -1.073 . . . . 0.0 110.232 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.9 107.57 4.73 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.407 -0.808 . . . . 0.0 110.059 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.5 m -118.94 103.37 9.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.0 110.181 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -82.32 -25.87 33.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.374 -0.829 . . . . 0.0 110.295 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.19 -25.85 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.326 -0.859 . . . . 0.0 110.245 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -58.09 -34.18 69.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.387 -0.821 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.17 -26.48 26.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.325 -0.859 . . . . 0.0 110.236 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.6 -29.38 37.41 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.666 -0.646 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.73 -49.01 58.29 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -27.76 16.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.303 -1.116 . . . . 0.0 109.496 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.04 -24.32 22.36 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.586 -0.696 . . . . 0.0 110.009 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.72 -72.66 0.08 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.29 -26.14 50.97 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.629 -0.669 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -92.8 63.99 3.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.355 -0.841 . . . . 0.0 110.284 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.02 -63.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.006 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.39 -55.29 36.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.438 -0.789 . . . . 0.0 110.38 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.57 9.49 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.956 -0.465 . . . . 0.0 111.257 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -62.06 1.68 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.242 -0.911 . . . . 0.0 110.182 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.97 51.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.525 -0.734 . . . . 0.0 110.743 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.08 -59.18 3.44 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.363 -0.836 . . . . 0.0 110.227 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.789 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -52.39 -39.95 52.92 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.176 -1.17 . . . . 0.0 110.176 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.42 -67.75 0.24 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.221 -1.164 . . . . 0.0 110.313 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.45 -24.05 28.75 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.201 -0.937 . . . . 0.0 110.176 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.669 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -62.26 -62.18 1.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.486 -0.759 . . . . 0.0 110.157 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -56.08 -34.15 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.49 -0.756 . . . . 0.0 110.359 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -87.64 52.95 2.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.427 -0.796 . . . . 0.0 109.981 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -161.75 -59.58 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.828 0.823 . . . . 0.0 110.118 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -58.68 -45.97 90.66 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.829 0 CA-C-O 121.244 0.545 . . . . 0.0 110.145 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -28.66 65.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.439 -0.788 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.85 -29.14 50.29 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.497 -0.752 . . . . 0.0 110.166 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.73 -53.39 9.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.378 -0.826 . . . . 0.0 110.17 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -55.57 -14.95 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.461 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 CA-C-N 119.415 1.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 125.57 25.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.448 -1.031 . . . . 0.0 110.109 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -81.24 149.72 28.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.304 -0.873 . . . . 0.0 110.191 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -64.48 99.03 0.28 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.355 -0.841 . . . . 0.0 110.108 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -91.78 -33.64 14.91 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.355 -0.841 . . . . 0.0 110.268 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.9 mt -108.15 78.4 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.417 -0.802 . . . . 0.0 110.085 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -125.95 -62.54 1.17 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.344 -0.848 . . . . 0.0 110.23 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.39 -26.62 26.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.366 -0.834 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.72 16.83 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.629 -0.669 . . . . 0.0 110.665 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.35 -50.83 62.61 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -54.53 -25.07 23.54 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.296 -1.12 . . . . 0.0 109.725 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -100.32 -13.53 18.78 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.578 -0.701 . . . . 0.0 110.365 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.25 -81.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.929 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.64 -24.6 63.99 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.826 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 10.4 tptm -91.42 73.54 6.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 110.201 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.62 -62.97 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.379 -0.826 . . . . 0.0 109.965 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.34 -56.08 22.09 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.514 -0.741 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.06 -46.89 11.76 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.967 -0.458 . . . . 0.0 111.214 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.61 -61.12 1.98 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.95 . . . . 0.0 110.03 -179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.37 -36.64 44.14 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.53 -0.731 . . . . 0.0 110.686 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -60.5 2.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.369 -0.832 . . . . 0.0 110.259 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.685 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.42 -31.26 43.02 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -59.69 -68.29 0.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -1.093 . . . . 0.0 110.254 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.46 38.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.365 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -57.68 -60.5 3.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.382 -0.824 . . . . 0.0 110.178 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mt -52.01 -27.58 14.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.0 110.408 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.95 13.34 16.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.361 -0.837 . . . . 0.0 110.461 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.14 -59.34 1.87 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.941 . . . . 0.0 110.082 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.35 -40.61 58.04 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-O 121.231 0.539 . . . . 0.0 110.139 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -28.49 66.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.452 -0.78 . . . . 0.0 110.238 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -81.45 -33.21 32.2 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.492 -0.755 . . . . 0.0 110.221 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.7 -21.61 60.85 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.392 -0.818 . . . . 0.0 110.343 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.39 -53.8 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 CA-C-N 119.475 1.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 3' ' ' TRP . 1.3 pp -141.42 -160.79 1.12 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.3 -1.118 . . . . 0.0 110.167 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.439 ' HB2' HD12 ' A' ' 2' ' ' LEU . 0.3 OUTLIER 55.26 34.76 23.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.287 -0.883 . . . . 0.0 110.325 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 t -142.91 74.13 1.43 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.42 -0.8 . . . . 0.0 110.182 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.62 176.8 6.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.417 -0.802 . . . . 0.0 110.176 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' ILE . 4.3 mp -104.38 11.81 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.272 -0.892 . . . . 0.0 110.462 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -72.94 -66.38 0.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.154 -0.966 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.17 -26.73 28.6 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.371 -0.831 . . . . 0.0 110.197 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 6' ' ' ILE . . . -55.97 -35.1 66.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.656 -0.653 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.47 -51.27 55.77 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -53.41 -26.01 18.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.305 -1.115 . . . . 0.0 109.682 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -97.46 -18.8 18.83 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.535 -0.728 . . . . 0.0 110.284 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.79 -78.5 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.172 -0.955 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.99 -23.53 61.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.465 -0.772 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.0 mmtt -76.02 69.06 2.58 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.337 -0.852 . . . . 0.0 110.195 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 179.59 -62.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.454 -0.779 . . . . 0.0 109.816 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.82 -55.73 27.09 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.522 -0.736 . . . . 0.0 110.26 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.18 -55.85 7.73 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.957 -0.464 . . . . 0.0 110.938 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -68.78 -56.07 9.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -0.911 . . . . 0.0 109.713 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.57 -33.56 22.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.671 -0.643 . . . . 0.0 110.563 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.8 -60.91 2.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.328 -0.857 . . . . 0.0 109.991 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.781 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -55.66 -23.98 38.36 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -53.87 -66.9 0.31 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.368 -1.078 . . . . 0.0 110.333 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.81 -25.3 11.02 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.229 -0.92 . . . . 0.0 110.348 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.18 -61.98 2.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.534 -0.729 . . . . 0.0 110.121 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -54.4 -30.4 52.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.427 -0.796 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -61.26 -26.13 67.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.391 -0.818 . . . . 0.0 110.226 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.58 -61.07 2.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.401 -0.812 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.557 ' O ' HG23 ' A' ' 33' ' ' VAL . 57.3 t -60.36 -45.56 96.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.859 -0.526 . . . . 0.0 110.233 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.3 t -56.81 -27.2 59.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.337 -0.852 . . . . 0.0 110.456 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.89 -35.25 26.34 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.498 -0.751 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.4 -25.15 66.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.427 -0.796 . . . . 0.0 110.216 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 29' ' ' VAL . 61.5 t -54.88 -12.58 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.357 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 CA-C-N 119.402 1.001 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tp -97.47 30.88 2.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.413 -1.051 . . . . 0.0 110.235 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -143.77 174.34 10.89 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.34 -0.85 . . . . 0.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -122.58 48.07 1.83 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.367 -0.833 . . . . 0.0 110.15 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' CD ' ' HG2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -126.94 165.79 18.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.396 -0.815 . . . . 0.0 110.242 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' HG22 ' A' ' 6' ' ' ILE . 89.2 mt -125.59 62.65 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.371 -0.83 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HG2' ' CD ' ' A' ' 5' ' ' LYS . 5.6 mmtp -92.65 -71.75 0.63 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.0 110.036 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 -26.68 15.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.347 -0.846 . . . . 0.0 110.119 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.12 -44.36 74.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.708 -0.62 . . . . 0.0 110.458 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.97 -49.96 67.73 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.23 19.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.244 -1.151 . . . . 0.0 109.622 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -94.73 -19.69 20.16 Favored 'General case' 0 N--CA 1.484 1.229 0 O-C-N 121.492 -0.755 . . . . 0.0 110.236 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.73 -76.72 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.226 -0.921 . . . . 0.0 110.495 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.61 -26.6 61.78 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.533 -0.73 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -75.46 85.01 2.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.36 -0.838 . . . . 0.0 110.221 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 15' ' ' LYS . . . 178.78 -62.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.389 -0.82 . . . . 0.0 109.96 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.92 -57.27 9.9 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.631 0.729 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.23 -46.97 24.74 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.962 -0.461 . . . . 0.0 110.982 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -59.65 2.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 0.0 110.005 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.66 -47.67 58.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.508 -0.745 . . . . 0.0 110.561 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.12 -58.88 4.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.395 -0.816 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.71 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -53.51 -24.65 24.88 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -67.59 0.27 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.216 -1.167 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.66 -22.96 25.48 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.207 -0.933 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.33 -60.55 3.59 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.488 -0.757 . . . . 0.0 110.263 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 22' ' ' GLY . 1.1 mp -52.16 -35.53 48.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.455 -0.778 . . . . 0.0 110.532 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.95 -31.68 68.34 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.35 -0.844 . . . . 0.0 110.093 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.26 -59.89 3.86 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.7 t -54.42 -38.21 40.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 CA-C-O 121.271 0.558 . . . . 0.0 110.123 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -30.52 64.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 109.954 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.63 -29.45 56.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.644 -0.66 . . . . 0.0 109.888 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.65 -65.65 1.0 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.497 -0.752 . . . . 0.0 110.125 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t 52.3 90.61 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.445 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 CA-C-N 119.371 0.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_