data_1abz_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 1abz _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.238 0.542 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 30.1 p-90 -53.11 -30.51 36.98 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.176 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.561 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -58.37 -38.5 77.4 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.095 -1.003 . . . . 0.0 109.71 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -45.65 -36.71 5.03 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.93 62.61 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -51.55 -30.41 20.54 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.2 t -83.24 -39.36 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.461 -0.775 . . . . 0.0 110.004 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -55.74 30.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.148 -0.97 . . . . 0.0 109.342 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -55.93 -25.41 43.17 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.208 -0.932 . . . . 0.0 109.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -64.44 0.86 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.375 -0.828 . . . . 0.0 109.756 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 3.5 14.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.232 -0.917 . . . . 0.0 109.953 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -74.05 -56.9 4.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.584 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.28 -0.887 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -57.45 6.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.145 -0.972 . . . . 0.0 109.588 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.33 -15.44 63.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.9 -28.72 66.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.0 109.451 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -130.88 32.16 4.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.368 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.26 111.44 1.43 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' A' ' 19' ' ' THR . 0.8 OUTLIER -101.42 44.75 1.0 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -1.155 . . . . 0.0 109.357 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -161.44 55.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.678 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.45 36.21 0.06 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.156 -0.965 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -87.6 14.16 8.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.665 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.41 -43.11 2.19 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.593 -0.692 . . . . 0.0 109.555 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.8 -10.7 39.97 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 109.685 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 18.7 mt -52.67 -45.11 66.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' NH2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.07 -61.99 2.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.717 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.84 -25.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.878 . . . . 0.0 109.833 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 ttm -70.69 -55.35 8.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -46.05 -34.96 4.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.641 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.83 10.97 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.167 -0.958 . . . . 0.0 109.766 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -60.77 -22.2 63.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 109.765 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.5 tp -48.09 -70.8 0.08 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 0.0 109.849 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 109.794 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -52.54 -35.45 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.264 -0.897 . . . . 0.0 109.746 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.46 -41.18 61.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.781 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 50.1 mt -54.43 -22.15 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.8 tt0 -85.39 42.15 0.93 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 109.86 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.903 . . . . 0.0 109.53 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.604 ' CE3' ' HA ' ' A' ' 3' ' ' LEU . 29.5 p-90 -62.52 -27.74 69.36 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.165 -0.96 . . . . 0.0 109.43 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -60.49 -22.72 63.85 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.319 -0.863 . . . . 0.0 109.34 -178.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.61 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.15 -38.05 70.35 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.418 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.15 72.7 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -60.48 -37.76 82.06 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' OE1' ' A' ' 35' ' ' GLU . 3.3 t -75.67 -45.37 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.466 -0.771 . . . . 0.0 109.685 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.39 -46.0 55.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.306 -0.871 . . . . 0.0 109.53 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 9' ' ' GLN . 7.5 mm100 -60.05 -55.7 30.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.206 -0.934 . . . . 0.0 109.674 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.49 -40.73 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 109.89 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.436 HD22 ' SD ' ' A' ' 28' ' ' MET . 6.2 mt -69.7 -38.74 77.08 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.1 tt0 -63.78 -26.14 68.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.105 -0.997 . . . . 0.0 109.778 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.46 -54.9 6.08 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -72.18 -4.45 29.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.943 . . . . 0.0 110.005 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 5.3 tt0 -115.35 -16.03 11.5 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.075 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -89.52 3.73 51.53 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.104 -0.998 . . . . 0.0 109.924 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' GLY . 8.9 mmm180 -143.54 22.73 1.82 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 109.847 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' ARG . . . 40.65 87.43 0.01 OUTLIER Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 19' ' ' THR . 10.1 t -147.28 81.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -1.172 . . . . 0.0 109.539 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 58.58 60.6 2.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.341 -0.85 . . . . 0.0 109.502 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.95 -157.09 0.29 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-80 60.02 15.47 5.1 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -0.85 . . . . 0.0 109.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.11 -53.75 0.39 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.473 -0.767 . . . . 0.0 109.492 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.83 7.17 9.24 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.312 -0.867 . . . . 0.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.527 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.9 mt -51.27 -30.92 19.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 29' ' ' GLU . 5.2 mmp_? -61.09 -43.32 99.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.486 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.82 62.68 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.436 ' SD ' HD22 ' A' ' 11' ' ' LEU . 2.4 ttm -58.61 -18.4 29.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 0.0 109.757 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 2.9 tt0 -68.57 -49.41 59.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.107 -0.996 . . . . 0.0 109.453 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.8 90.43 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' LEU . 2.0 mttt -61.2 -20.24 62.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.2 tp -43.15 -69.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 36' ' ' ILE . 29.4 mttt -58.66 -27.42 64.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.852 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . -53.63 -34.22 57.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' OE1' HG23 ' A' ' 7' ' ' VAL . 2.7 mt-10 -77.32 -41.61 39.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.189 -0.944 . . . . 0.0 109.686 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 33' ' ' LYS . 12.1 mm -51.45 -41.4 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.194 -0.941 . . . . 0.0 109.66 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -45.95 70.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.298 -0.876 . . . . 0.0 109.396 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mptt . . . . . 0 N--CA 1.487 1.405 0 O-C-N 121.263 -0.898 . . . . 0.0 109.584 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.606 ' CZ2' ' CD2' ' A' ' 3' ' ' LEU . 34.2 p-90 -52.5 -25.45 10.31 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.055 -1.028 . . . . 0.0 109.516 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.606 ' CD2' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -55.46 -45.55 76.88 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LEU . 5.1 mtpt -40.94 -35.46 0.52 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.44 -47.71 59.38 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.0 mmp_? -53.5 -45.63 69.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.405 ' CG1' ' OE1' ' A' ' 35' ' ' GLU . 2.1 t -71.29 -29.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.56 -0.712 . . . . 0.0 109.71 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -28.45 66.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.913 . . . . 0.0 109.237 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -52.06 31.25 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' ' 10' ' ' GLU . 4.0 mm-40 -59.81 -46.48 89.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.282 -0.886 . . . . 0.0 109.491 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.05 -24.81 64.85 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 109.409 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.36 -39.34 92.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.617 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -21.38 62.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.244 -0.91 . . . . 0.0 109.786 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tt -75.15 -60.58 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 109.638 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.21 -4.57 48.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 109.685 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -71.58 -45.63 61.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 19' ' ' THR . 3.5 ttm180 -87.45 41.47 0.98 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.79 -94.43 0.01 OUTLIER Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ARG . 7.9 m 64.6 28.53 13.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.186 -1.184 . . . . 0.0 109.237 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 47.53 47.05 17.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.239 -0.913 . . . . 0.0 109.27 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -108.6 13.19 25.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.456 -0.777 . . . . 0.0 109.524 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.38 21.19 2.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.42 -40.27 2.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.417 -0.802 . . . . 0.0 109.164 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -86.37 15.63 5.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.345 -0.847 . . . . 0.0 109.529 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.59 -26.59 13.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -0.865 . . . . 0.0 109.679 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -81.41 -33.15 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.611 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.88 -12.49 60.17 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.188 -0.945 . . . . 0.0 109.751 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -39.36 72.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.636 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -33.87 71.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 109.647 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.3 -64.25 1.02 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.233 -0.917 . . . . 0.0 109.802 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -59.29 -25.53 64.19 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.259 -0.901 . . . . 0.0 109.961 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.11 -53.78 38.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.128 -0.983 . . . . 0.0 109.527 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.83 -32.38 63.53 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.157 -0.964 . . . . 0.0 109.365 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.15 74.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' OE1' ' CG1' ' A' ' 7' ' ' VAL . 12.9 mt-10 -66.63 -51.05 60.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.356 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.21 -35.68 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.554 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' LYS . 15.8 mt-30 -52.02 -56.63 13.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.474 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' GLN . 11.9 tttt . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 28.6 p-90 -48.99 -31.69 7.9 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.09 -1.006 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -56.84 -44.32 81.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 109.992 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -51.5 -31.06 22.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 109.011 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.73 -36.81 25.47 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.403 -0.811 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -90.49 7.01 41.09 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.23 -0.919 . . . . 0.0 109.931 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 45.3 t -89.79 -48.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 O-C-N 121.107 -0.995 . . . . 0.0 109.525 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.64 -21.71 65.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -0.949 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 2.5 tt0 -74.58 -48.09 28.73 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.327 -0.858 . . . . 0.0 109.904 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 12.5 pt-20 -67.36 -34.79 78.03 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.197 -0.94 . . . . 0.0 109.863 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' HG ' ' HG3' ' A' ' 10' ' ' GLU . 15.0 mt -79.62 -15.01 58.39 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.099 -1.0 . . . . 0.0 109.966 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -58.47 -17.52 21.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.159 -0.963 . . . . 0.0 109.577 -179.706 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' HB1' ' A' ' 16' ' ' ALA . . . -72.99 -66.36 0.68 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.237 -0.914 . . . . 0.0 109.726 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.4 -43.92 75.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 109.679 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.79 -28.71 65.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.956 . . . . 0.0 109.504 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -59.72 -36.3 76.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 0.0 109.419 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.25 67.33 0.78 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . -116.59 25.61 8.99 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.5 m 72.8 81.36 0.14 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -1.161 . . . . 0.0 109.472 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER 43.83 55.75 4.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.305 -0.872 . . . . 0.0 109.476 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.07 10.42 6.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -88.23 20.47 3.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.071 -1.018 . . . . 0.0 109.524 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.18 -47.13 2.49 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.408 -0.807 . . . . 0.0 109.106 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' LEU . 13.8 mm-40 -72.54 -12.41 61.06 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.366 -0.834 . . . . 0.0 109.372 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -44.96 -25.92 0.36 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.271 -0.893 . . . . 0.0 109.502 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -62.74 1.51 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.74 68.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.247 -0.908 . . . . 0.0 109.563 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.43 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -59.28 -34.75 72.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.474 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -54.82 40.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.346 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER -62.62 -19.66 64.0 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.296 -0.878 . . . . 0.0 109.42 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -43.98 98.05 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.902 . . . . 0.0 109.481 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.58 73.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.65 74.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.9 -42.24 97.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 0.0 109.311 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -54.74 -56.27 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.228 -0.92 . . . . 0.0 109.393 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -51.32 -62.92 1.32 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.352 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mttp . . . . . 0 N--CA 1.487 1.42 0 O-C-N 121.253 -0.904 . . . . 0.0 109.481 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CZ2' ' HG ' ' A' ' 3' ' ' LEU . 24.9 p-90 -50.22 -37.5 35.75 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.198 -0.939 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.565 ' HG ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -56.48 -41.99 77.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.903 -178.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -34.65 13.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.106 -0.996 . . . . 0.0 108.837 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.36 -54.0 12.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.368 -0.833 . . . . 0.0 109.631 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.557 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -75.74 2.59 11.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.97 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 3' ' ' LEU . 37.8 t -90.63 -35.54 7.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.071 -1.018 . . . . 0.0 109.631 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.54 -48.08 73.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.246 -0.909 . . . . 0.0 109.497 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.92 86.78 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 109.713 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -45.92 90.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.567 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.36 -39.89 76.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -21.97 55.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.309 -0.87 . . . . 0.0 109.505 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -65.07 -29.25 70.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -32.66 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 0.0 109.504 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.84 -49.12 74.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -8.86 29.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 0.0 109.588 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 9.0 mtp180 -104.63 33.85 3.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.183 -0.948 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.75 142.23 3.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p -114.15 7.8 16.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.332 -1.099 . . . . 0.0 109.429 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.35 56.93 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 109.281 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HD12 ' A' ' 25' ' ' LEU . 29.9 t -177.4 30.9 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.28 -0.887 . . . . 0.0 109.564 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.454 ' HA ' HD12 ' A' ' 25' ' ' LEU . 12.7 p30 -92.02 14.26 16.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.24 -26.75 9.01 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.685 -0.634 . . . . 0.0 109.444 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.18 12.15 12.33 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.267 -0.896 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 6.1 mp -63.92 -18.9 64.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.11 -0.993 . . . . 0.0 109.472 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.87 52.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.199 -0.938 . . . . 0.0 109.497 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.38 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.463 ' HE3' ' HG ' ' A' ' 25' ' ' LEU . 2.5 ptt? -67.83 -16.76 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -41.8 95.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.322 -0.861 . . . . 0.0 109.844 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.77 -65.88 0.62 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.168 -0.958 . . . . 0.0 109.759 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -53.66 -25.77 19.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.9 tp -53.24 -69.94 0.1 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.657 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.81 -12.78 11.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.919 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 -29.9 41.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.875 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 28.4 tt0 -89.1 -29.3 19.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.077 -1.014 . . . . 0.0 109.836 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 33' ' ' LYS . 1.7 pp -45.31 -32.17 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.15 -0.968 . . . . 0.0 109.59 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -61.92 -60.18 4.01 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 109.593 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.222 0.534 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.662 ' CE3' ' HD3' ' A' ' 6' ' ' ARG . 16.5 p-90 -50.45 -40.23 50.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.265 -0.897 . . . . 0.0 110.005 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.587 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -60.6 -37.68 82.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.184 -178.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HA ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -46.08 -33.44 3.47 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -44.62 71.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.662 ' HD3' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.44 8.85 31.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.16 -0.962 . . . . 0.0 110.086 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 83.5 t -87.32 -32.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.077 -1.014 . . . . 0.0 109.602 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -59.97 3.13 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 109.212 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -50.02 -27.41 5.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.254 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.79 -65.58 0.66 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.292 -0.88 . . . . 0.0 109.813 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.56 6.41 10.56 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.247 -0.908 . . . . 0.0 109.993 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -67.33 -45.69 75.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 0.0 109.538 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -16.99 63.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.875 . . . . 0.0 109.623 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.05 -59.85 2.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.753 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.91 -5.1 44.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.96 -11.29 50.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.11 -0.994 . . . . 0.0 109.622 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 18' ' ' GLY . 3.2 mtm180 -92.54 25.27 3.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . 42.83 94.85 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -147.97 64.43 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 0.0 109.334 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' THR . 13.9 t0 43.1 45.71 4.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.331 -0.856 . . . . 0.0 109.361 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -86.02 3.78 40.79 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 109.611 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.53 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.7 t-20 -90.91 21.42 4.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.95 -43.55 1.07 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.373 -0.829 . . . . 0.0 109.693 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.5 18.88 2.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.252 -0.905 . . . . 0.0 109.894 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.53 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.4 mt -66.17 -31.59 72.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.054 -1.029 . . . . 0.0 109.53 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -79.35 -34.25 42.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 109.658 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.76 -25.94 56.94 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.24 -0.912 . . . . 0.0 109.883 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 35.1 ttp -65.36 -29.78 70.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.228 -0.92 . . . . 0.0 109.788 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.69 -46.22 89.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.201 -0.937 . . . . 0.0 109.773 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -50.34 66.03 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -64.78 -12.88 52.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.889 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 7' ' ' VAL . 65.3 tp -62.5 -45.82 91.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -76.02 2.71 12.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.311 -0.868 . . . . 0.0 110.056 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 -48.26 7.85 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.072 -1.017 . . . . 0.0 109.911 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -74.47 -22.94 58.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.861 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 37' ' ' GLN . 7.9 tt -66.82 -42.21 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.479 ' N ' ' CG2' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -49.13 -50.93 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.519 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 0.0 109.58 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 121.146 0.498 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.624 ' CZ2' ' CD1' ' A' ' 3' ' ' LEU . 30.7 p-90 -54.51 -33.86 60.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.624 ' CD1' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.74 -36.4 72.02 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.177 -0.952 . . . . 0.0 109.689 -179.085 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -38.82 14.91 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.88 69.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -52.04 -35.74 48.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.174 179.191 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.457 HG13 HD12 ' A' ' 32' ' ' LEU . 2.2 t -80.14 -32.59 13.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.36 -60.73 2.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.903 . . . . 0.0 109.856 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -51.05 -33.02 23.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -0.902 . . . . 0.0 109.886 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.57 -56.84 10.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 0.0 109.938 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.28 -21.9 37.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.961 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.6 -52.12 65.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.112 -0.993 . . . . 0.0 109.847 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.09 -28.34 57.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 109.93 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.58 99.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.199 -0.938 . . . . 0.0 109.75 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.9 -19.22 52.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.125 -0.984 . . . . 0.0 109.566 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.37 -57.64 5.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.188 -0.945 . . . . 0.0 109.501 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -139.62 65.52 1.43 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . -83.13 -116.74 0.57 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 170.15 89.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -1.133 . . . . 0.0 109.442 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' O ' ' OG ' ' A' ' 21' ' ' SER . 0.5 OUTLIER 62.65 63.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.305 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' A' ' 20' ' ' ASP . 4.3 m -177.67 41.86 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.243 -0.91 . . . . 0.0 109.527 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -100.84 15.1 29.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.58 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.01 -39.9 2.67 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.647 -0.658 . . . . 0.0 109.475 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.18 -17.63 42.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 109.523 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.0 mt -53.96 -27.44 31.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.744 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HA ' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -75.42 -40.9 57.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 109.492 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.83 -21.65 64.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.275 -0.891 . . . . 0.0 109.807 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -27.51 69.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.154 -0.966 . . . . 0.0 109.718 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 1.4 tt0 -54.04 -43.36 70.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -0.935 . . . . 0.0 109.764 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.17 76.09 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.936 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -15.59 58.07 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.183 -0.948 . . . . 0.0 110.178 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 HG13 ' A' ' 7' ' ' VAL . 26.1 tp -51.67 -38.93 57.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.094 -1.004 . . . . 0.0 109.589 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -64.52 -49.55 70.88 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 109.757 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.65 23.23 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.929 . . . . 0.0 109.752 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -82.28 -33.92 28.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.0 109.428 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.79 -28.73 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.654 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -52.94 -53.5 48.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.433 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mttp . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.43 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CZ2' HD13 ' A' ' 3' ' ' LEU . 27.1 p-90 -46.86 -35.14 6.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.173 -0.955 . . . . 0.0 109.717 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.574 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -55.81 -46.37 78.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -47.62 -33.99 7.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.035 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.12 -38.57 35.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.332 -0.855 . . . . 0.0 109.488 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.9 8.08 34.03 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.251 -0.906 . . . . 0.0 109.864 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 43.4 t -90.39 -72.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.115 -0.991 . . . . 0.0 109.291 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -48.49 -23.61 1.02 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.148 -0.97 . . . . 0.0 109.236 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.78 -54.22 20.91 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.269 -0.895 . . . . 0.0 109.75 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.2 pt-20 -62.32 -41.02 98.19 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.967 . . . . 0.0 109.667 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 13.1 mt -70.11 -18.6 63.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.267 -0.896 . . . . 0.0 109.811 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -59.22 -22.85 61.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.183 -0.948 . . . . 0.0 109.75 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.98 -62.08 1.69 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -15.44 63.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 109.243 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 2.1 mm-40 -74.21 -20.62 60.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.364 -0.835 . . . . 0.0 109.176 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.45 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.534 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.5 27.59 1.47 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.65 -136.19 24.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.806 -1.318 . . . . 0.0 109.806 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.2 p -108.5 61.36 0.61 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.599 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -149.0 68.43 1.05 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.216 -0.928 . . . . 0.0 109.54 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 167.36 38.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.279 -0.888 . . . . 0.0 109.605 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.512 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.1 t30 -93.1 20.51 6.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.381 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.46 -42.38 1.97 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.405 -0.81 . . . . 0.0 109.463 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.21 -22.68 52.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 3.6 mt -50.86 -34.92 30.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 0.0 109.643 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 10.3 mmp_? -75.22 -43.13 53.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.623 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.51 -7.74 34.99 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.244 -0.91 . . . . 0.0 109.755 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 tpt -74.51 -47.0 35.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 2.6 pt-20 -47.72 -24.1 0.86 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.22 -0.925 . . . . 0.0 109.561 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -69.31 0.28 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.268 -0.895 . . . . 0.0 109.673 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -64.73 -13.15 53.68 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.413 -0.804 . . . . 0.0 109.836 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -57.31 -50.45 72.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.703 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -14.95 59.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.133 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.52 37.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.58 -34.74 35.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.146 -0.971 . . . . 0.0 109.852 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 32' ' ' LEU . 63.1 mt -55.67 -20.74 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.659 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.1 -34.02 3.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.916 . . . . 0.0 109.597 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 O-C-N 121.249 -0.907 . . . . 0.0 109.485 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 24.9 p-90 -47.07 -36.0 7.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 0.0 110.026 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.569 ' HG ' ' CZ2' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -57.1 -46.51 82.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -49.74 -29.65 8.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -38.66 24.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.585 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -88.67 4.32 47.62 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.167 -0.958 . . . . 0.0 109.938 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 83.2 t -90.2 -42.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.06 -1.025 . . . . 0.0 109.474 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -60.06 -55.16 37.36 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.242 -0.911 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.54 -34.94 69.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -0.872 . . . . 0.0 109.263 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.26 -57.52 12.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.297 -0.877 . . . . 0.0 109.38 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.92 -10.9 43.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.307 -0.87 . . . . 0.0 109.478 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.95 -32.76 74.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.622 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.83 94.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.199 -0.938 . . . . 0.0 109.762 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -24.29 65.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.734 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.66 3.97 32.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.143 -0.973 . . . . 0.0 109.623 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.83 31.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.0 109.677 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.91 26.63 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.92 . . . . 0.0 109.503 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . 56.98 -115.05 5.98 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.3 m 76.63 51.13 0.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.285 -1.126 . . . . 0.0 109.361 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 48.79 49.8 18.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 p -114.68 -1.78 13.21 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HA ' HD11 ' A' ' 25' ' ' LEU . 8.9 p30 -89.76 16.09 8.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.217 -0.927 . . . . 0.0 109.595 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.08 -45.16 2.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.633 -0.667 . . . . 0.0 109.419 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -78.88 -6.15 55.4 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -53.49 -31.41 45.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.906 . . . . 0.0 109.549 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -72.44 -46.71 53.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.166 -0.959 . . . . 0.0 109.394 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -15.32 63.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.405 -0.809 . . . . 0.0 109.653 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.1 tpt -69.11 -36.51 77.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 109.5 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 30' ' ' ALA . 16.6 pt-20 -49.47 -43.19 44.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.105 -0.997 . . . . 0.0 109.178 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 29' ' ' GLU . . . -64.19 -48.95 73.93 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.248 -0.908 . . . . 0.0 109.395 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -56.23 -25.75 48.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.304 -0.872 . . . . 0.0 109.667 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.99 -64.45 0.9 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.342 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -42.36 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.31 -0.869 . . . . 0.0 109.539 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.65 20.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.277 -0.89 . . . . 0.0 109.463 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 tt0 -77.38 -61.21 2.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.89 . . . . 0.0 109.398 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 35' ' ' GLU . 6.3 mm -44.31 -32.66 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.224 -0.922 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.07 -72.07 0.07 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.896 . . . . 0.0 109.336 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 109.483 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 3' ' ' LEU . 26.4 p-90 -58.43 -37.12 74.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.214 -0.929 . . . . 0.0 109.418 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -56.55 -26.87 56.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.635 -0.665 . . . . 0.0 110.313 -178.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -64.02 -35.47 80.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.921 -1.112 . . . . 0.0 108.91 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -78.3 -49.0 14.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.365 -0.834 . . . . 0.0 109.174 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -71.3 -9.83 58.76 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 110.004 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 12.8 t -90.73 -57.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.34 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 5' ' ' ALA . 22.7 pt-20 -46.59 -42.5 16.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.566 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 8' ' ' GLU . 2.0 tp60 -62.84 -49.33 75.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.309 -0.869 . . . . 0.0 109.773 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -36.64 64.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.886 . . . . 0.0 109.886 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD11 ' CG ' ' A' ' 28' ' ' MET . 27.7 mt -73.17 -33.82 65.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.091 -1.006 . . . . 0.0 110.043 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.98 71.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.952 . . . . 0.0 109.962 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 -56.81 15.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 109.889 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.3 -11.94 60.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' A' ' 25' ' ' LEU . 3.9 mm-40 -94.7 -12.29 27.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.438 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.36 -46.87 73.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 0.0 109.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -156.77 65.77 0.53 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . -90.42 40.92 2.97 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 71.7 p 47.64 75.66 0.13 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -1.153 . . . . 0.0 109.603 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' THR . 2.9 t70 75.91 52.84 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.31 20.49 8.13 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.23 -0.919 . . . . 0.0 109.654 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.436 ' HA ' HD13 ' A' ' 25' ' ' LEU . 10.5 t-20 -91.87 24.85 3.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.929 . . . . 0.0 109.45 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.75 -45.66 1.75 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.408 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -59.81 -15.38 20.31 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.285 -0.884 . . . . 0.0 109.407 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 22.6 mt -44.73 -30.37 0.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.0 109.542 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.483 ' NH1' ' HG2' ' A' ' 26' ' ' ARG . 7.6 mmp_? -70.32 -48.48 56.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -13.59 15.0 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.769 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.461 ' CG ' HD11 ' A' ' 11' ' ' LEU . 15.6 ttp -63.07 -40.76 98.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 0.0 109.78 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -47.74 79.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.246 -0.909 . . . . 0.0 109.807 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.34 84.49 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.241 -0.912 . . . . 0.0 110.013 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -33.21 75.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.2 -0.937 . . . . 0.0 110.014 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -54.18 -59.67 4.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 109.642 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -59.55 -20.09 53.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.719 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.36 -32.98 74.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.165 -0.959 . . . . 0.0 109.736 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.43 -63.26 1.32 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.757 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 1.4 pt -49.12 -34.75 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.21 -0.931 . . . . 0.0 109.645 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.0 mm-40 -45.41 -63.6 0.91 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.0 109.372 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 O-C-N 121.226 -0.921 . . . . 0.0 109.472 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.227 0.537 . . . . 0.0 109.657 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.616 ' CZ2' ' CD1' ' A' ' 3' ' ' LEU . 28.4 p-90 -54.16 -33.23 57.47 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 110.134 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.616 ' CD1' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -56.42 -37.1 69.73 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.194 -0.941 . . . . 0.0 109.775 -179.144 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.42 -40.15 11.69 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.14 -40.26 74.91 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -52.29 -34.46 46.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 0.0 109.197 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.95 -31.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 121.537 -0.727 . . . . 0.0 110.081 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.55 -60.77 2.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.734 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 1.1 mt-30 -49.86 -36.19 26.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.938 . . . . 0.0 109.695 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.19 -58.48 8.47 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.691 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.34 -14.93 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.188 -0.945 . . . . 0.0 109.949 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -58.86 -46.7 87.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.067 -1.02 . . . . 0.0 109.292 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.15 65.83 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.2 -0.937 . . . . 0.0 109.328 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.19 -36.96 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.408 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -91.87 0.15 57.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 0.0 109.483 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 17' ' ' ARG . . . -73.91 -19.97 60.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER 176.0 77.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.297 -0.877 . . . . 0.0 109.442 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.79 -84.22 0.73 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.5 93.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.176 -1.19 . . . . 0.0 109.643 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.51 55.43 6.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t -96.29 0.5 50.94 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.089 -1.007 . . . . 0.0 109.616 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.437 ' HA ' HD13 ' A' ' 25' ' ' LEU . 18.9 t30 -93.9 21.4 6.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.926 . . . . 0.0 109.477 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.9 -42.33 2.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.109 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.6 mt-10 -75.43 -0.48 20.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 109.605 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 22' ' ' ASN . 8.5 mt -43.08 -29.83 0.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 0.0 109.962 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 5.4 mmt180 -68.55 -60.87 2.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.132 -0.98 . . . . 0.0 109.416 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.64 -8.46 20.57 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.22 -0.925 . . . . 0.0 109.698 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.436 ' HE1' HD21 ' A' ' 25' ' ' LEU . 9.7 ttp -75.42 -44.86 42.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.143 -0.973 . . . . 0.0 109.566 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.53 -36.84 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 109.098 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.95 61.84 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.301 -0.874 . . . . 0.0 109.262 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -60.49 -21.06 61.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.333 -0.854 . . . . 0.0 109.429 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -57.02 12.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 16.8 mttm -62.61 -28.68 70.06 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.675 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 37' ' ' GLN . . . -63.71 -46.67 84.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.97 . . . . 0.0 109.497 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -60.02 3.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -0.911 . . . . 0.0 109.523 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -55.66 -23.46 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.548 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -43.65 -40.52 4.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 0.0 109.615 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 0.0 109.439 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.209 0.528 . . . . 0.0 109.787 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.618 ' CZ2' ' CD1' ' A' ' 3' ' ' LEU . 26.9 p-90 -59.65 -38.47 81.5 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.22 -0.925 . . . . 0.0 110.028 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.618 ' CD1' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -57.57 -21.85 41.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.795 . . . . 0.0 110.172 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' HE2' HD12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -69.08 -35.17 76.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.015 . . . . 0.0 108.884 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.1 -28.38 25.63 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.418 -0.801 . . . . 0.0 109.737 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.16 -10.31 44.97 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.088 -1.008 . . . . 0.0 110.198 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 3' ' ' LEU . 9.7 p -90.54 -33.65 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.001 -1.062 . . . . 0.0 109.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' N ' HG11 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -68.35 -39.22 81.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 109.685 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -46.76 81.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.206 -0.934 . . . . 0.0 109.655 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -45.5 80.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.137 -0.977 . . . . 0.0 109.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 7' ' ' VAL . 6.8 mt -68.23 -9.58 48.21 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.749 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -73.71 -54.68 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.722 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.07 -19.9 61.96 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.3 -0.875 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.92 -44.92 37.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.632 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.42 -15.38 56.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 109.575 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.75 -46.94 23.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.2 -0.938 . . . . 0.0 109.486 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.05 51.04 0.86 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.68 179.14 21.89 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -121.69 19.02 11.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -1.131 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -165.04 51.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.2 m -68.93 -169.75 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 0.0 109.751 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.1 t30 54.8 19.35 2.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.437 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.85 -43.57 0.58 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.485 -0.759 . . . . 0.0 109.562 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 28' ' ' MET . 60.3 mm-40 -85.61 23.59 1.36 Allowed 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.227 -0.921 . . . . 0.0 110.067 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 22' ' ' ASN . 21.6 mt -78.98 -66.35 0.88 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.08 -1.013 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 8.0 mmp_? -60.53 -37.95 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 0.0 109.405 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.52 73.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.535 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 5.0 tmm? -65.67 -24.18 66.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.0 109.569 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.11 -50.2 69.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 -179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -58.9 4.79 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.827 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -20.14 13.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 24.1 tp -65.83 -48.89 70.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.918 . . . . 0.0 109.788 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -22.62 58.08 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.274 -0.891 . . . . 0.0 110.046 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.09 -28.88 39.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.107 -0.996 . . . . 0.0 110.002 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.95 -42.4 12.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.01 . . . . 0.0 109.678 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 HD12 ' HE2' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -55.85 -32.21 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.681 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.8 -38.13 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tttp . . . . . 0 N--CA 1.488 1.442 0 O-C-N 121.269 -0.894 . . . . 0.0 109.49 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.603 ' CE2' ' CD2' ' A' ' 3' ' ' LEU . 39.3 p-90 -55.25 -24.36 27.5 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.024 -1.047 . . . . 0.0 109.709 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.603 ' CD2' ' CE2' ' A' ' 2' ' ' TRP . 2.5 mm? -49.49 -40.92 39.19 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.277 -0.89 . . . . 0.0 109.069 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -43.79 64.04 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.515 -0.741 . . . . 0.0 109.543 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.52 -45.33 65.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -76.02 -2.33 30.1 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.091 -1.006 . . . . 0.0 109.984 -179.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 45.4 t -90.2 -54.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.172 -0.955 . . . . 0.0 109.305 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.09 -33.14 74.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.0 109.172 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -29.95 70.4 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.318 -0.864 . . . . 0.0 109.459 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -59.25 2.84 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.321 -0.862 . . . . 0.0 109.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.01 -25.54 63.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.227 -0.92 . . . . 0.0 109.775 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -74.45 -28.21 60.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 0.0 109.78 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.81 -13.0 61.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.186 -0.946 . . . . 0.0 109.722 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.0 -36.69 14.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 0.0 109.689 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' OE2' HD22 ' A' ' 25' ' ' LEU . 45.0 mt-10 -85.81 -10.6 55.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.256 -0.902 . . . . 0.0 109.749 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.44 -4.88 28.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -144.89 62.11 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.216 -0.928 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.88 147.48 10.5 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.7 p -120.42 23.32 10.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.312 -1.11 . . . . 0.0 109.5 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -142.47 63.62 1.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.893 . . . . 0.0 109.406 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -171.86 27.98 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -96.71 18.13 15.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.196 -0.94 . . . . 0.0 109.137 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.03 -33.52 4.14 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -86.72 25.54 1.25 Allowed 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.283 -0.886 . . . . 0.0 109.855 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.518 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -81.03 -18.98 44.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.642 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -75.87 -38.61 57.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.0 109.563 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -21.4 66.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.905 . . . . 0.0 109.757 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.0 ttp -74.23 -21.24 59.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -59.36 -54.83 42.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 109.515 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.08 71.7 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.237 -0.915 . . . . 0.0 109.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -16.04 30.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.247 -0.908 . . . . 0.0 109.907 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -65.56 0.57 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.178 -0.951 . . . . 0.0 109.473 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -64.41 -30.6 71.64 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.234 -0.916 . . . . 0.0 109.753 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.578 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.94 34.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.14 -0.975 . . . . 0.0 109.509 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -47.2 -34.23 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.916 . . . . 0.0 109.443 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.14 -69.96 0.39 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.851 . . . . 0.0 109.535 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mttm . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.566 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.582 ' CE2' HD13 ' A' ' 3' ' ' LEU . 27.8 p-90 -54.59 -33.32 60.15 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.337 -0.852 . . . . 0.0 109.876 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.582 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -54.82 -34.9 63.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.469 -0.769 . . . . 0.0 110.331 -178.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -35.75 69.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 109.47 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.3 -41.45 28.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 109.634 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 2.8 ppt_? -80.96 -2.89 49.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 110.035 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 37.6 t -91.28 -41.06 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.152 -0.967 . . . . 0.0 109.621 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -62.33 -61.23 2.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.302 -0.874 . . . . 0.0 109.663 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 11.0 pt20 -48.74 -26.09 2.17 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.566 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 6.8 mm-40 -68.81 -64.03 0.95 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.185 -0.947 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' HG2' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.39 -12.16 40.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -82.9 -47.56 11.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.056 -1.027 . . . . 0.0 109.733 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.79 66.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.206 -0.933 . . . . 0.0 109.729 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -65.54 0.68 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 109.485 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 pt-20 -63.29 -12.28 28.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.3 -25.3 22.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.86 53.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.23 -37.42 0.46 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 p 48.52 22.99 0.54 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.199 -1.177 . . . . 0.0 109.502 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 21' ' ' SER . 1.6 t70 -143.06 48.11 1.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.167 -0.958 . . . . 0.0 109.456 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 174.64 34.2 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.393 -0.817 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.4 t30 -90.19 18.2 6.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -0.878 . . . . 0.0 109.234 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.21 -38.87 2.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.575 -0.703 . . . . 0.0 109.54 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.88 -5.83 18.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.316 -0.865 . . . . 0.0 110.004 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.529 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mt -60.97 -47.23 87.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 109.682 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -38.72 91.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 0.0 109.626 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -8.59 53.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.232 -0.917 . . . . 0.0 109.628 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.523 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 11.6 tpt -71.7 -33.28 68.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.928 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.3 -35.0 59.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.604 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -58.21 9.29 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.265 -0.897 . . . . 0.0 109.808 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -22.43 61.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.652 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.89 -70.42 0.15 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.289 -0.882 . . . . 0.0 109.787 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -13.97 13.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.902 . . . . 0.0 109.886 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.92 70.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.761 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -86.03 -52.32 5.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.805 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.88 -21.37 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.179 -0.951 . . . . 0.0 109.697 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -55.43 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.129 -0.982 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.374 0 O-C-N 121.321 -0.862 . . . . 0.0 109.582 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.585 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 58.7 p-90 -57.65 -32.24 67.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.557 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' A' ' 6' ' ' ARG . 5.1 tp -59.17 -32.97 70.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.7 -0.625 . . . . 0.0 109.462 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -36.21 58.08 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.88 -37.36 81.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.585 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -49.59 -41.61 42.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 108.845 179.407 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.23 -36.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.506 -0.746 . . . . 0.0 110.063 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -60.0 4.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 2.4 pt20 -55.51 -23.61 27.22 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.35 -0.844 . . . . 0.0 109.377 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 3.8 tt0 -69.19 -60.88 2.05 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.258 -0.901 . . . . 0.0 109.681 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.57 4.97 14.26 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.233 -0.917 . . . . 0.0 109.893 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -66.86 -64.25 0.89 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.9 -16.02 59.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.255 -0.903 . . . . 0.0 109.81 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CG ' ' HE2' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.64 -40.02 88.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.0 109.583 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.73 -42.49 10.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.84 75.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.432 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.01 67.46 1.47 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.876 . . . . 0.0 109.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' THR . . . -97.82 18.54 57.07 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 18' ' ' GLY . 2.3 t 39.64 74.04 0.1 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.549 -0.971 . . . . 0.0 109.865 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER 75.63 54.23 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.343 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 m -120.9 21.2 11.47 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.288 -0.882 . . . . 0.0 109.695 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.401 ' HA ' HD11 ' A' ' 25' ' ' LEU . 19.9 p30 -87.31 13.35 9.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.728 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.19 -45.69 2.1 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.625 -0.672 . . . . 0.0 109.369 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -76.73 1.4 17.27 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -56.04 -20.59 17.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 109.676 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -50.89 52.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.9 . . . . 0.0 109.499 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -26.35 22.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -0.896 . . . . 0.0 109.732 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.49 ' HE2' ' CG ' ' A' ' 14' ' ' LEU . 1.1 tpp -66.03 -41.34 91.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -38.34 64.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 109.767 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.09 3.58 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.202 -0.936 . . . . 0.0 110.021 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -68.66 -5.02 17.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.219 -0.926 . . . . 0.0 110.192 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 ' N ' ' A' ' 33' ' ' LYS . 7.0 tt -74.84 -73.32 0.25 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.026 -1.046 . . . . 0.0 110.047 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.69 -8.6 28.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 110.006 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.4 -44.37 12.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.18 -28.62 34.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.949 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 33' ' ' LYS . 16.4 tt -76.96 -34.66 22.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.248 -0.908 . . . . 0.0 109.665 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 18.4 tt0 -49.37 -33.78 14.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.316 -0.865 . . . . 0.0 109.446 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.417 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.534 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 32.9 p-90 -59.13 -34.51 72.14 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.297 -0.877 . . . . 0.0 109.966 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.525 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -53.17 -24.66 11.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.508 -0.745 . . . . 0.0 110.485 -178.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -39.22 83.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.949 -1.095 . . . . 0.0 109.131 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.98 36.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.36 -0.837 . . . . 0.0 109.598 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.534 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.67 -18.77 46.94 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.0 109.446 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 54.8 t -82.03 -36.4 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 121.086 -1.009 . . . . 0.0 109.202 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.02 -24.86 63.19 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.275 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -65.51 -63.0 1.2 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.316 -0.865 . . . . 0.0 109.733 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.78 -43.12 62.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.94 . . . . 0.0 109.589 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 HD13 HG13 ' A' ' 7' ' ' VAL . 10.5 mt -54.81 -51.26 66.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.701 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.87 -22.05 66.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.196 -0.94 . . . . 0.0 109.528 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.29 -31.89 66.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.235 -0.915 . . . . 0.0 109.754 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -46.29 20.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.194 -0.941 . . . . 0.0 109.756 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -67.28 -26.61 66.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.935 . . . . 0.0 109.506 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.6 -10.64 57.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.225 -0.922 . . . . 0.0 109.616 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -145.38 58.54 1.27 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.123 -0.986 . . . . 0.0 109.601 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.77 131.96 3.83 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.9 p -112.48 8.37 19.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -1.149 . . . . 0.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.77 65.59 0.53 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.405 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.419 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER 179.61 32.28 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.52 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-20 -94.1 21.69 6.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.216 -0.927 . . . . 0.0 109.198 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.13 -43.03 1.97 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.441 -0.787 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -25.92 42.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.251 -0.906 . . . . 0.0 109.364 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.52 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.3 mt -50.54 -41.2 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.255 -0.903 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -51.18 -51.09 57.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.23 -0.919 . . . . 0.0 109.159 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.6 71.54 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.269 -0.895 . . . . 0.0 109.436 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 tpp -61.98 -27.39 68.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -52.87 -50.58 63.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.188 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.52 93.28 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.24 -0.912 . . . . 0.0 109.349 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -26.22 60.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.36 -0.837 . . . . 0.0 109.595 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -61.11 -47.76 84.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.154 -0.966 . . . . 0.0 109.635 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 20.0 ttpt -61.3 -26.65 67.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.826 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.2 69.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.198 -0.939 . . . . 0.0 109.819 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -64.62 1.11 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.089 -1.007 . . . . 0.0 109.883 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.518 ' CG1' ' HA ' ' A' ' 33' ' ' LYS . 1.3 pt -46.88 -23.9 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 109.906 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -50.56 14.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.136 -0.978 . . . . 0.0 109.569 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 121.098 0.475 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.592 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 37.1 p-90 -52.5 -23.29 5.97 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 109.874 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.591 ' CD2' ' NE1' ' A' ' 2' ' ' TRP . 3.6 mm? -55.56 -46.7 77.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.913 . . . . 0.0 109.111 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -36.99 6.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.442 -0.787 . . . . 0.0 109.642 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.66 -40.89 55.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.943 . . . . 0.0 109.451 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.54 7.72 28.26 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.308 -0.87 . . . . 0.0 109.949 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 54.4 t -89.33 -58.45 3.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.077 -1.014 . . . . 0.0 109.889 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -50.07 63.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.178 -0.951 . . . . 0.0 109.513 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -58.66 -29.11 66.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.0 109.819 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -56.29 7.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 110.141 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -85.82 19.91 2.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.108 -0.995 . . . . 0.0 110.257 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 13' ' ' ALA . 9.8 pt20 -75.88 -42.15 50.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.927 -1.108 . . . . 0.0 109.497 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 12' ' ' GLN . . . -78.76 -10.44 59.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.199 -0.938 . . . . 0.0 109.437 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.09 -45.68 59.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.903 . . . . 0.0 109.437 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 0.8 OUTLIER -73.36 -22.11 60.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.527 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -68.63 -30.7 69.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.24 -0.913 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.76 57.89 1.03 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.215 -0.928 . . . . 0.0 109.599 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.56 125.13 4.28 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -91.71 15.65 12.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -1.135 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -144.98 81.82 1.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.36 -0.837 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.14 -148.86 0.27 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 8.6 t-20 60.03 16.13 5.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.905 . . . . 0.0 109.419 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.02 -50.94 0.26 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.495 -0.753 . . . . 0.0 109.546 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.59 -4.78 55.39 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.385 -0.822 . . . . 0.0 109.873 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.527 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -45.58 -34.59 3.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 7.1 mmp_? -74.38 -46.14 42.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.516 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.17 20.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.16 -0.963 . . . . 0.0 109.599 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.84 -40.16 96.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 109.542 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.53 -38.46 81.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.174 -0.954 . . . . 0.0 109.537 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.45 2.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.267 -0.896 . . . . 0.0 109.806 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.89 -18.41 62.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.918 . . . . 0.0 109.873 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 6.1 tt -51.15 -67.22 0.27 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.89 -18.35 8.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.603 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.02 64.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.552 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -72.41 -52.4 16.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.564 ' CG1' ' HA ' ' A' ' 33' ' ' LYS . 1.1 pt -57.25 -33.13 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.174 -0.954 . . . . 0.0 109.616 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 27.9 tt0 -57.65 -56.55 20.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -0.901 . . . . 0.0 109.213 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm . . . . . 0 N--CA 1.487 1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.266 0.555 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 29.1 p-90 -63.56 -33.3 75.29 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.226 -0.921 . . . . 0.0 110.186 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.57 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -59.28 -17.51 29.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.291 -0.88 . . . . 0.0 110.428 -178.736 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -74.95 -31.81 61.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.962 -1.087 . . . . 0.0 108.973 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.2 -29.14 20.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.461 -0.774 . . . . 0.0 109.486 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.71 -17.62 31.34 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.247 -0.908 . . . . 0.0 109.831 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 32' ' ' LEU . 9.8 p -85.6 -26.13 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 O-C-N 121.228 -0.92 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -68.48 -49.7 57.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.446 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -44.69 78.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.265 -0.897 . . . . 0.0 109.711 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.5 -48.32 82.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.799 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.15 -13.49 37.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -0.873 . . . . 0.0 109.83 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.03 -18.8 65.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.987 . . . . 0.0 109.872 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -18.44 59.82 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.179 -0.95 . . . . 0.0 109.375 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -75.09 0.18 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.34 -0.85 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.21 -22.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -63.57 1.08 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.65 44.81 0.99 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.71 117.22 1.0 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -106.1 15.53 26.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -1.133 . . . . 0.0 109.483 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 21' ' ' SER . 32.2 t0 -116.02 62.38 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 40.3 t 177.34 37.09 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.583 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -91.1 16.25 10.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.48 -39.77 2.74 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.663 -0.648 . . . . 0.0 109.481 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.56 10.47 8.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.339 -0.85 . . . . 0.0 109.537 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.87 -32.12 60.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 109.493 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -43.6 40.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.882 . . . . 0.0 109.336 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.38 -12.74 60.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.23 -0.919 . . . . 0.0 109.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -31.49 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 109.401 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt-10 -59.74 -34.03 72.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.221 -0.924 . . . . 0.0 109.25 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.63 76.23 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 2.6 mttp -62.57 -20.42 64.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.312 -0.868 . . . . 0.0 109.665 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.22 -40.71 74.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.191 -0.943 . . . . 0.0 109.739 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.91 -31.21 64.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.725 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 31' ' ' LYS . . . -61.23 -34.12 74.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.935 . . . . 0.0 109.584 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -62.92 1.35 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 109.551 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.8 mp -50.6 -26.2 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.15 -0.969 . . . . 0.0 109.495 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ILE . 32.5 tt0 -45.08 -58.65 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -0.965 . . . . 0.0 109.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 3.7 tptp . . . . . 0 N--CA 1.487 1.396 0 O-C-N 121.326 -0.859 . . . . 0.0 109.534 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CZ2' HD13 ' A' ' 3' ' ' LEU . 27.5 p-90 -50.75 -35.18 30.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.301 -0.875 . . . . 0.0 109.687 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.574 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -54.19 -42.58 69.89 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.485 -0.759 . . . . 0.0 109.696 -178.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -45.95 -38.73 7.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.95 33.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 109.654 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.04 4.74 11.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.134 -0.979 . . . . 0.0 110.04 -179.605 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 52.7 t -86.95 -68.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.112 -0.992 . . . . 0.0 109.656 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' VAL . 5.4 tp10 -45.32 -41.16 8.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.181 -0.949 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.02 -47.86 81.25 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.302 -0.874 . . . . 0.0 109.466 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -48.25 68.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.612 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 mt -57.13 -37.23 71.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.22 -0.925 . . . . 0.0 109.589 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -56.87 -37.84 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.78 63.05 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.276 -0.89 . . . . 0.0 109.694 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.03 -34.19 76.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.669 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 -7.14 43.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.16 -0.963 . . . . 0.0 109.544 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.26 62.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.527 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.49 54.03 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.497 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.57 173.31 23.73 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.53 19.55 16.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -1.189 . . . . 0.0 109.387 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.27 51.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -79.33 -170.11 2.16 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.325 -0.86 . . . . 0.0 109.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.557 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 2.5 m120 57.57 17.17 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.18 -45.65 0.42 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.444 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 28' ' ' MET . 1.6 mm-40 -83.45 14.35 3.76 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.349 -0.844 . . . . 0.0 110.009 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.557 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.2 mt -71.33 -72.99 0.19 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.011 -1.056 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -39.62 83.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.339 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.62 88.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 109.534 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.458 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 2.0 ttp -70.6 -16.29 62.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.35 -35.9 82.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.539 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.32 70.93 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.191 -0.943 . . . . 0.0 109.784 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -84.0 -15.81 46.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.243 -0.911 . . . . 0.0 109.841 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.46 -66.43 0.39 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.744 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HA ' HG12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -64.63 -9.07 16.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.23 -25.58 42.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.405 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.85 -40.26 12.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 37' ' ' GLN . 43.2 pt -47.74 -34.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.514 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.522 ' N ' HG13 ' A' ' 36' ' ' ILE . 7.5 tt0 -51.13 -69.85 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.266 -0.897 . . . . 0.0 109.219 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm . . . . . 0 C--N 1.305 -1.36 0 O-C-N 121.32 -0.863 . . . . 0.0 109.54 179.906 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.1 t70 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.58 ' CE2' HD13 ' A' ' 3' ' ' LEU . 24.0 p-90 -57.47 -42.11 81.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.264 -0.897 . . . . 0.0 110.131 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.58 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -50.61 -27.39 6.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.37 -0.831 . . . . 0.0 109.894 -179.022 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -44.26 96.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.101 -0.999 . . . . 0.0 108.978 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.67 -32.06 60.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.473 -0.767 . . . . 0.0 109.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -86.82 -5.62 59.05 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.056 -1.028 . . . . 0.0 110.061 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 10.9 t -89.68 -35.65 7.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.105 -0.997 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.32 -54.61 22.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.618 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 12.3 pt20 -62.85 -14.87 51.28 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.216 -0.927 . . . . 0.0 109.823 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.38 -51.0 8.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.193 -0.942 . . . . 0.0 109.757 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HD22 ' A' ' 14' ' ' LEU . 92.4 mt -66.23 -25.93 67.13 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.256 -0.902 . . . . 0.0 109.895 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -52.7 -20.27 3.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.143 -0.973 . . . . 0.0 109.503 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.56 67.98 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -73.96 -21.39 60.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.498 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.2 tm-20 -92.49 -3.97 54.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 109.525 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.57 -18.89 39.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -173.71 81.42 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.6 -172.04 13.92 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.41 -104.52 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.234 -1.157 . . . . 0.0 109.409 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.36 53.31 2.44 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.176 -0.952 . . . . 0.0 109.435 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -86.0 19.04 2.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.24 -0.912 . . . . 0.0 109.946 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.49 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 6.6 m120 -90.89 22.9 3.39 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.096 -1.002 . . . . 0.0 109.339 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.0 -47.56 1.64 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 109.515 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LEU . 11.8 mm-40 -62.46 -12.29 21.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.238 -0.914 . . . . 0.0 109.572 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -43.38 -38.09 2.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -70.48 -46.71 63.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.168 -0.957 . . . . 0.0 109.258 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -5.94 32.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.293 -0.88 . . . . 0.0 109.415 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 26.0 ttp -74.18 -43.21 58.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.392 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.77 -35.53 77.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.918 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.08 -56.07 15.15 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.248 -0.908 . . . . 0.0 109.693 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' MET . 25.6 pttt -61.85 -15.88 45.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.257 -0.902 . . . . 0.0 109.638 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.97 -72.77 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 109.464 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.49 -5.29 23.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.35 -0.844 . . . . 0.0 109.789 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.4 -28.08 31.65 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.956 . . . . 0.0 109.447 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -88.16 -34.2 17.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.432 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 33' ' ' LYS . 2.4 pp -45.15 -33.16 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.707 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -51.11 -66.06 0.45 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm . . . . . 0 C--N 1.305 -1.339 0 O-C-N 121.172 -0.955 . . . . 0.0 109.522 -180.0 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.557 ' CZ2' ' HG ' ' A' ' 3' ' ' LEU . 26.4 p-90 -45.66 -36.91 5.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.109 -0.994 . . . . 0.0 109.652 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.557 ' HG ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -57.46 -47.74 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.539 -0.725 . . . . 0.0 109.53 -179.051 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -48.05 -29.79 3.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.936 . . . . 0.0 109.004 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.02 -36.94 27.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.336 -0.852 . . . . 0.0 109.502 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.36 4.79 47.78 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.714 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 66.3 t -91.08 -46.68 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.18 -0.95 . . . . 0.0 109.748 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -53.85 -25.49 20.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.346 -0.846 . . . . 0.0 109.722 -179.626 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.72 -43.78 71.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.272 -0.892 . . . . 0.0 109.416 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.77 -57.06 12.24 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.585 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 ' CG1' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -58.21 -33.77 69.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.682 -179.78 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' GLU . 2.7 mt-30 -68.25 -31.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.158 -0.964 . . . . 0.0 109.496 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.8 73.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -20.65 62.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.442 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.8 -13.94 17.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.376 -0.828 . . . . 0.0 109.476 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.33 60.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.608 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.41 44.67 2.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.0 109.477 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.86 161.93 33.69 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 t -128.22 40.03 3.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.267 -1.137 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -154.76 74.54 0.94 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 0.0 109.333 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 1.1 t 179.61 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.255 -0.903 . . . . 0.0 109.428 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -103.11 23.38 12.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.439 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.95 -43.94 1.49 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -72.59 -2.1 18.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 28' ' ' MET . 34.5 mt -50.45 -23.28 2.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.7 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -34.06 16.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 109.568 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.54 60.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 110.004 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 21.5 ptt? -67.68 -28.06 67.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -0.996 . . . . 0.0 109.756 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.79 -38.68 79.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.881 . . . . 0.0 109.823 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.36 -54.68 37.22 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.178 -0.952 . . . . 0.0 109.757 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.39 75.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.876 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.77 -49.36 71.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.737 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.33 -24.99 68.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.879 -179.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.28 52.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.951 . . . . 0.0 109.664 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.94 -37.67 54.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.953 . . . . 0.0 109.791 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -49.31 -35.31 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.551 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -61.18 2.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.877 . . . . 0.0 109.477 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tttt . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.514 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 4' ' ' LYS . 4.4 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.131 0.491 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.578 ' NE1' ' CD1' ' A' ' 3' ' ' LEU . 27.2 p-90 -52.8 -34.01 51.61 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.163 -0.96 . . . . 0.0 109.925 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.578 ' CD1' ' NE1' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -55.68 -39.57 71.15 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.92 -178.713 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER -52.18 -34.37 44.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -33.32 33.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.95 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.53 ' CG ' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.94 0.42 57.09 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.076 -1.015 . . . . 0.0 110.149 -179.499 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 99.5 t -90.29 -66.42 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 120.986 -1.071 . . . . 0.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLN . 5.7 pt-20 -49.29 -36.73 21.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.75 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 1.3 tt0 -57.42 -49.56 75.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.235 -0.916 . . . . 0.0 109.478 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.5 77.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.815 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.16 7.06 20.16 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.179 -0.951 . . . . 0.0 110.073 -179.472 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 8' ' ' GLU . 2.2 mt-30 -77.3 -51.4 10.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.057 -1.027 . . . . 0.0 109.474 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HB3' ' NH1' ' A' ' 17' ' ' ARG . . . -57.07 -23.65 48.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.228 -0.92 . . . . 0.0 109.552 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.21 -48.66 78.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 0.0 109.646 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -86.0 -8.15 58.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.34 54.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.282 -0.886 . . . . 0.0 109.54 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 13' ' ' ALA . 6.4 mtt180 -103.15 51.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.211 -0.931 . . . . 0.0 109.516 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.25 106.75 0.22 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.8 p -89.49 25.73 1.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.237 -1.154 . . . . 0.0 109.586 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -107.2 52.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 109.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.79 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -88.06 15.7 7.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.338 -0.851 . . . . 0.0 109.646 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.34 -42.87 2.22 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' OE1' ' HB1' ' A' ' 27' ' ' ALA . 63.3 mm-40 -77.84 2.25 17.81 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.201 -0.937 . . . . 0.0 109.861 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.02 -34.89 45.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.969 . . . . 0.0 109.443 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -71.0 -42.62 69.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.424 ' HB1' ' OE1' ' A' ' 24' ' ' GLU . . . -59.63 -29.7 68.2 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.294 -0.878 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.3 tpt -63.3 -31.27 72.37 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 109.397 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.57 -44.57 90.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -56.93 14.91 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 109.419 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -23.85 66.46 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.254 -0.904 . . . . 0.0 109.453 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.11 -49.52 73.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.847 . . . . 0.0 109.614 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.65 33.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.585 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.42 -37.72 80.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 109.52 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -70.95 -43.19 68.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 0.0 109.635 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.12 -43.23 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.619 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -69.5 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttp . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.229 -0.919 . . . . 0.0 109.492 -179.991 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 4.3 p-10 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.591 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 34.1 p-90 -56.29 -27.1 54.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.335 -0.853 . . . . 0.0 109.809 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -60.72 -35.93 77.57 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.123 -0.986 . . . . 0.0 109.607 -179.417 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' LEU . 1.9 pttm -47.86 -34.33 8.67 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.53 55.63 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.9 mmp_? -52.82 -35.52 57.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.432 -0.792 . . . . 0.0 109.393 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.05 -25.1 5.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.29 -0.882 . . . . 0.0 110.033 -179.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.431 ' OE1' HD12 ' A' ' 32' ' ' LEU . 1.7 tp10 -68.98 -35.79 77.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.156 -0.965 . . . . 0.0 109.865 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.58 -51.3 60.78 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.82 -44.68 96.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.232 -0.917 . . . . 0.0 109.672 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.73 -13.7 61.8 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 109.88 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.97 -39.85 83.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.679 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.87 73.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.298 -0.877 . . . . 0.0 109.8 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.15 -46.7 76.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.152 -0.968 . . . . 0.0 109.694 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.08 -39.49 66.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 109.524 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.57 75.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -118.76 45.31 2.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 0.0 109.581 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.8 -0.35 42.34 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.19 73.06 0.34 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.169 -1.195 . . . . 0.0 109.42 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 t70 55.95 49.84 15.07 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 109.48 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 p -86.69 53.37 2.79 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -101.41 15.18 29.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.207 -0.933 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 -48.67 2.23 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.66 -0.65 . . . . 0.0 109.444 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.16 -8.38 30.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.314 -0.866 . . . . 0.0 109.727 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -47.4 -34.49 7.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -49.32 76.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.193 -0.942 . . . . 0.0 109.494 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.78 72.6 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 0.0 109.659 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.411 ' HE1' ' HA ' ' A' ' 28' ' ' MET . 6.0 tpt -60.06 -26.22 65.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.499 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -70.25 -36.68 74.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.897 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.246 -0.909 . . . . 0.0 109.638 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -57.92 -23.92 55.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 109.862 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' OE1' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -49.83 -61.38 2.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.135 -0.978 . . . . 0.0 109.73 -179.838 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.8 tttt -56.91 -28.08 61.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 31' ' ' LYS . . . -65.59 -34.42 78.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.191 -0.943 . . . . 0.0 109.605 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.74 -48.29 26.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 109.687 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 4.8 mt -50.77 -32.92 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.246 -0.909 . . . . 0.0 109.452 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -51.51 69.5 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 tttp . . . . . 0 N--CA 1.487 1.411 0 O-C-N 121.27 -0.893 . . . . 0.0 109.573 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.238 0.542 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 30.1 p-90 -53.11 -30.51 36.98 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.176 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.561 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -58.37 -38.5 77.4 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.095 -1.003 . . . . 0.0 109.71 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -45.65 -36.71 5.03 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.93 62.61 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -51.55 -30.41 20.54 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.2 t -83.24 -39.36 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.461 -0.775 . . . . 0.0 110.004 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -55.74 30.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.148 -0.97 . . . . 0.0 109.342 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -55.93 -25.41 43.17 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.208 -0.932 . . . . 0.0 109.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -64.44 0.86 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.375 -0.828 . . . . 0.0 109.756 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 3.5 14.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.232 -0.917 . . . . 0.0 109.953 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -74.05 -56.9 4.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.584 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.28 -0.887 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -57.45 6.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.145 -0.972 . . . . 0.0 109.588 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.33 -15.44 63.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.9 -28.72 66.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.0 109.451 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -130.88 32.16 4.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.368 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.26 111.44 1.43 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' A' ' 19' ' ' THR . 0.8 OUTLIER -101.42 44.75 1.0 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -1.155 . . . . 0.0 109.357 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -161.44 55.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.678 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.45 36.21 0.06 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.156 -0.965 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -87.6 14.16 8.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.665 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.41 -43.11 2.19 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.593 -0.692 . . . . 0.0 109.555 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.8 -10.7 39.97 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 109.685 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 18.7 mt -52.67 -45.11 66.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' NH2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.07 -61.99 2.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.717 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.84 -25.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.878 . . . . 0.0 109.833 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 ttm -70.69 -55.35 8.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -46.05 -34.96 4.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.641 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.83 10.97 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.167 -0.958 . . . . 0.0 109.766 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -60.77 -22.2 63.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 109.765 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.5 tp -48.09 -70.8 0.08 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 0.0 109.849 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 109.794 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -52.54 -35.45 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.264 -0.897 . . . . 0.0 109.746 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.46 -41.18 61.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.781 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 50.1 mt -54.43 -22.15 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.8 tt0 -85.39 42.15 0.93 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 109.86 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER 167.83 -50.51 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.903 . . . . 0.0 109.53 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.971 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . 0.45 ' H31' ' HB3' ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.604 ' CE3' ' HA ' ' A' ' 3' ' ' LEU . 29.5 p-90 -62.52 -27.74 69.36 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.165 -0.96 . . . . 0.0 109.43 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -60.49 -22.72 63.85 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.319 -0.863 . . . . 0.0 109.34 -178.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.61 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.15 -38.05 70.35 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.418 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.15 72.7 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -60.48 -37.76 82.06 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' OE1' ' A' ' 35' ' ' GLU . 3.3 t -75.67 -45.37 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.466 -0.771 . . . . 0.0 109.685 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.39 -46.0 55.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.306 -0.871 . . . . 0.0 109.53 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 9' ' ' GLN . 7.5 mm100 -60.05 -55.7 30.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.206 -0.934 . . . . 0.0 109.674 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.49 -40.73 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 109.89 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.436 HD22 ' SD ' ' A' ' 28' ' ' MET . 6.2 mt -69.7 -38.74 77.08 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.1 tt0 -63.78 -26.14 68.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.105 -0.997 . . . . 0.0 109.778 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.46 -54.9 6.08 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -72.18 -4.45 29.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.943 . . . . 0.0 110.005 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 5.3 tt0 -115.35 -16.03 11.5 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.075 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -89.52 3.73 51.53 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.104 -0.998 . . . . 0.0 109.924 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' GLY . 8.9 mmm180 -143.54 22.73 1.82 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 109.847 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' ARG . . . 40.65 87.43 0.01 OUTLIER Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 19' ' ' THR . 10.1 t -147.28 81.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -1.172 . . . . 0.0 109.539 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 58.58 60.6 2.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.341 -0.85 . . . . 0.0 109.502 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.95 -157.09 0.29 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-80 60.02 15.47 5.1 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -0.85 . . . . 0.0 109.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.11 -53.75 0.39 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.473 -0.767 . . . . 0.0 109.492 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.83 7.17 9.24 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.312 -0.867 . . . . 0.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.527 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.9 mt -51.27 -30.92 19.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 29' ' ' GLU . 5.2 mmp_? -61.09 -43.32 99.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.486 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.82 62.68 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.436 ' SD ' HD22 ' A' ' 11' ' ' LEU . 2.4 ttm -58.61 -18.4 29.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 0.0 109.757 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 2.9 tt0 -68.57 -49.41 59.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.107 -0.996 . . . . 0.0 109.453 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.8 90.43 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' LEU . 2.0 mttt -61.2 -20.24 62.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.2 tp -43.15 -69.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 36' ' ' ILE . 29.4 mttt -58.66 -27.42 64.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.852 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . -53.63 -34.22 57.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' OE1' HG23 ' A' ' 7' ' ' VAL . 2.7 mt-10 -77.32 -41.61 39.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.189 -0.944 . . . . 0.0 109.686 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 33' ' ' LYS . 12.1 mm -51.45 -41.4 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.194 -0.941 . . . . 0.0 109.66 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -45.95 70.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.298 -0.876 . . . . 0.0 109.396 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -66.39 -54.59 22.59 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.263 -0.898 . . . . 0.0 109.584 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.606 ' CZ2' ' CD2' ' A' ' 3' ' ' LEU . 34.2 p-90 -52.5 -25.45 10.31 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.055 -1.028 . . . . 0.0 109.516 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' CD2' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -55.46 -45.55 76.88 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LEU . 5.1 mtpt -40.94 -35.46 0.52 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.44 -47.71 59.38 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.0 mmp_? -53.5 -45.63 69.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.405 ' CG1' ' OE1' ' A' ' 35' ' ' GLU . 2.1 t -71.29 -29.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.56 -0.712 . . . . 0.0 109.71 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -28.45 66.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.913 . . . . 0.0 109.237 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -52.06 31.25 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' ' 10' ' ' GLU . 4.0 mm-40 -59.81 -46.48 89.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.282 -0.886 . . . . 0.0 109.491 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.05 -24.81 64.85 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 109.409 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.36 -39.34 92.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.617 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -21.38 62.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.244 -0.91 . . . . 0.0 109.786 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tt -75.15 -60.58 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 109.638 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.21 -4.57 48.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 109.685 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -71.58 -45.63 61.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 19' ' ' THR . 3.5 ttm180 -87.45 41.47 0.98 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.79 -94.43 0.01 OUTLIER Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ARG . 7.9 m 64.6 28.53 13.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.186 -1.184 . . . . 0.0 109.237 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 47.53 47.05 17.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.239 -0.913 . . . . 0.0 109.27 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -108.6 13.19 25.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.456 -0.777 . . . . 0.0 109.524 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.38 21.19 2.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.609 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.42 -40.27 2.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.417 -0.802 . . . . 0.0 109.164 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -86.37 15.63 5.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.345 -0.847 . . . . 0.0 109.529 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.59 -26.59 13.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -0.865 . . . . 0.0 109.679 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -81.41 -33.15 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.611 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.88 -12.49 60.17 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.188 -0.945 . . . . 0.0 109.751 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -39.36 72.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.636 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -33.87 71.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 109.647 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.3 -64.25 1.02 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.233 -0.917 . . . . 0.0 109.802 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -59.29 -25.53 64.19 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.259 -0.901 . . . . 0.0 109.961 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.11 -53.78 38.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.128 -0.983 . . . . 0.0 109.527 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.83 -32.38 63.53 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.157 -0.964 . . . . 0.0 109.365 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.15 74.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' OE1' ' CG1' ' A' ' 7' ' ' VAL . 12.9 mt-10 -66.63 -51.05 60.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.356 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 mp -56.21 -35.68 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.554 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' LYS . 15.8 mt-30 -52.02 -56.63 13.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.474 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' GLN . 11.9 tttt -44.34 -54.09 6.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.025 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . 0.561 ' O3 ' ' CB ' ' A' ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.561 ' CB ' ' O3 ' ' A' ' 0' ' ' SIN . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 28.6 p-90 -48.99 -31.69 7.9 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.09 -1.006 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -56.84 -44.32 81.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 109.992 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -51.5 -31.06 22.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 109.011 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.73 -36.81 25.47 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.403 -0.811 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -90.49 7.01 41.09 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.23 -0.919 . . . . 0.0 109.931 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 45.3 t -89.79 -48.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 O-C-N 121.107 -0.995 . . . . 0.0 109.525 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.64 -21.71 65.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -0.949 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 2.5 tt0 -74.58 -48.09 28.73 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.327 -0.858 . . . . 0.0 109.904 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 12.5 pt-20 -67.36 -34.79 78.03 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.197 -0.94 . . . . 0.0 109.863 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' HG ' ' HG3' ' A' ' 10' ' ' GLU . 15.0 mt -79.62 -15.01 58.39 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.099 -1.0 . . . . 0.0 109.966 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -58.47 -17.52 21.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.159 -0.963 . . . . 0.0 109.577 -179.706 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' HB1' ' A' ' 16' ' ' ALA . . . -72.99 -66.36 0.68 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.237 -0.914 . . . . 0.0 109.726 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.4 -43.92 75.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 109.679 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.79 -28.71 65.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.956 . . . . 0.0 109.504 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -59.72 -36.3 76.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 0.0 109.419 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.25 67.33 0.78 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . -116.59 25.61 8.99 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.5 m 72.8 81.36 0.14 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -1.161 . . . . 0.0 109.472 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER 43.83 55.75 4.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.305 -0.872 . . . . 0.0 109.476 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.07 10.42 6.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -88.23 20.47 3.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.071 -1.018 . . . . 0.0 109.524 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.18 -47.13 2.49 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.408 -0.807 . . . . 0.0 109.106 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' LEU . 13.8 mm-40 -72.54 -12.41 61.06 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.366 -0.834 . . . . 0.0 109.372 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -44.96 -25.92 0.36 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.271 -0.893 . . . . 0.0 109.502 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -62.74 1.51 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.74 68.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.247 -0.908 . . . . 0.0 109.563 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.43 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -59.28 -34.75 72.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.474 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -54.82 40.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.346 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER -62.62 -19.66 64.0 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.296 -0.878 . . . . 0.0 109.42 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -43.98 98.05 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.902 . . . . 0.0 109.481 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -44.58 73.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.65 74.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.9 -42.24 97.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 0.0 109.311 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -54.74 -56.27 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.228 -0.92 . . . . 0.0 109.393 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 39' ' ' NH2 . 27.5 tp60 -51.32 -62.92 1.32 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.352 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -68.52 53.44 0.08 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.253 -0.904 . . . . 0.0 109.481 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . 0.472 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.031 -1.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . 0.41 ' O2 ' HD11 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CZ2' ' HG ' ' A' ' 3' ' ' LEU . 24.9 p-90 -50.22 -37.5 35.75 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.198 -0.939 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.565 ' HG ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -56.48 -41.99 77.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.903 -178.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -34.65 13.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.106 -0.996 . . . . 0.0 108.837 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.36 -54.0 12.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.368 -0.833 . . . . 0.0 109.631 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.557 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -75.74 2.59 11.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.97 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 3' ' ' LEU . 37.8 t -90.63 -35.54 7.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.071 -1.018 . . . . 0.0 109.631 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.54 -48.08 73.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.246 -0.909 . . . . 0.0 109.497 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.92 86.78 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 109.713 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -45.92 90.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.567 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.6 mt -57.36 -39.89 76.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -21.97 55.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.309 -0.87 . . . . 0.0 109.505 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -65.07 -29.25 70.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -32.66 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 0.0 109.504 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.84 -49.12 74.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -8.86 29.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 0.0 109.588 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 9.0 mtp180 -104.63 33.85 3.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.183 -0.948 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.75 142.23 3.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p -114.15 7.8 16.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.332 -1.099 . . . . 0.0 109.429 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.35 56.93 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 109.281 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HD12 ' A' ' 25' ' ' LEU . 29.9 t -177.4 30.9 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.28 -0.887 . . . . 0.0 109.564 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.454 ' HA ' HD12 ' A' ' 25' ' ' LEU . 12.7 p30 -92.02 14.26 16.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.24 -26.75 9.01 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.685 -0.634 . . . . 0.0 109.444 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.18 12.15 12.33 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.267 -0.896 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 6.1 mp -63.92 -18.9 64.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.11 -0.993 . . . . 0.0 109.472 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.87 52.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.199 -0.938 . . . . 0.0 109.497 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.38 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.463 ' HE3' ' HG ' ' A' ' 25' ' ' LEU . 2.5 ptt? -67.83 -16.76 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -41.8 95.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.322 -0.861 . . . . 0.0 109.844 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.77 -65.88 0.62 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.168 -0.958 . . . . 0.0 109.759 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -53.66 -25.77 19.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.9 tp -53.24 -69.94 0.1 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.657 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.81 -12.78 11.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.919 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 -29.9 41.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.875 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 28.4 tt0 -89.1 -29.3 19.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.077 -1.014 . . . . 0.0 109.836 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 33' ' ' LYS . 1.7 pp -45.31 -32.17 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.15 -0.968 . . . . 0.0 109.59 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -61.92 -60.18 4.01 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 109.593 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -58.88 -26.12 63.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.012 -1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.222 0.534 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.662 ' CE3' ' HD3' ' A' ' 6' ' ' ARG . 16.5 p-90 -50.45 -40.23 50.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.265 -0.897 . . . . 0.0 110.005 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.587 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -60.6 -37.68 82.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.184 -178.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HA ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -46.08 -33.44 3.47 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -44.62 71.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.662 ' HD3' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.44 8.85 31.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.16 -0.962 . . . . 0.0 110.086 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 83.5 t -87.32 -32.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.077 -1.014 . . . . 0.0 109.602 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -59.97 3.13 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 109.212 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -50.02 -27.41 5.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.254 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.79 -65.58 0.66 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.292 -0.88 . . . . 0.0 109.813 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.56 6.41 10.56 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.247 -0.908 . . . . 0.0 109.993 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -67.33 -45.69 75.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 0.0 109.538 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -16.99 63.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.875 . . . . 0.0 109.623 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.05 -59.85 2.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.753 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.91 -5.1 44.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.96 -11.29 50.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.11 -0.994 . . . . 0.0 109.622 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 18' ' ' GLY . 3.2 mtm180 -92.54 25.27 3.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . 42.83 94.85 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -147.97 64.43 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 0.0 109.334 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' THR . 13.9 t0 43.1 45.71 4.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.331 -0.856 . . . . 0.0 109.361 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -86.02 3.78 40.79 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 109.611 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.53 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.7 t-20 -90.91 21.42 4.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.95 -43.55 1.07 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.373 -0.829 . . . . 0.0 109.693 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.5 18.88 2.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.252 -0.905 . . . . 0.0 109.894 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.4 mt -66.17 -31.59 72.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.054 -1.029 . . . . 0.0 109.53 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -79.35 -34.25 42.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 109.658 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.76 -25.94 56.94 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.24 -0.912 . . . . 0.0 109.883 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 35.1 ttp -65.36 -29.78 70.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.228 -0.92 . . . . 0.0 109.788 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.69 -46.22 89.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.201 -0.937 . . . . 0.0 109.773 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -50.34 66.03 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -64.78 -12.88 52.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.889 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 7' ' ' VAL . 65.3 tp -62.5 -45.82 91.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -76.02 2.71 12.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.311 -0.868 . . . . 0.0 110.056 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 -48.26 7.85 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.072 -1.017 . . . . 0.0 109.911 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -74.47 -22.94 58.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.861 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 37' ' ' GLN . 7.9 tt -66.82 -42.21 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.479 ' N ' ' CG2' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -49.13 -50.93 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.519 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -68.87 0.33 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 0.0 109.58 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 121.146 0.498 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.624 ' CZ2' ' CD1' ' A' ' 3' ' ' LEU . 30.7 p-90 -54.51 -33.86 60.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.624 ' CD1' ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.74 -36.4 72.02 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.177 -0.952 . . . . 0.0 109.689 -179.085 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -38.82 14.91 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.88 69.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -52.04 -35.74 48.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.174 179.191 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG13 HD12 ' A' ' 32' ' ' LEU . 2.2 t -80.14 -32.59 13.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.36 -60.73 2.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.903 . . . . 0.0 109.856 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -51.05 -33.02 23.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -0.902 . . . . 0.0 109.886 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.57 -56.84 10.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 0.0 109.938 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -57.28 -21.9 37.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.961 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.6 -52.12 65.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.112 -0.993 . . . . 0.0 109.847 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.09 -28.34 57.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 109.93 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.58 99.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.199 -0.938 . . . . 0.0 109.75 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.9 -19.22 52.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.125 -0.984 . . . . 0.0 109.566 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.37 -57.64 5.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.188 -0.945 . . . . 0.0 109.501 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -139.62 65.52 1.43 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . -83.13 -116.74 0.57 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 170.15 89.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -1.133 . . . . 0.0 109.442 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' O ' ' OG ' ' A' ' 21' ' ' SER . 0.5 OUTLIER 62.65 63.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.305 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' A' ' 20' ' ' ASP . 4.3 m -177.67 41.86 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.243 -0.91 . . . . 0.0 109.527 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -100.84 15.1 29.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.58 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.01 -39.9 2.67 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.647 -0.658 . . . . 0.0 109.475 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.18 -17.63 42.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 109.523 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.0 mt -53.96 -27.44 31.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.744 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HA ' ' NH1' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -75.42 -40.9 57.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 109.492 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.83 -21.65 64.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.275 -0.891 . . . . 0.0 109.807 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -27.51 69.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.154 -0.966 . . . . 0.0 109.718 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 1.4 tt0 -54.04 -43.36 70.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -0.935 . . . . 0.0 109.764 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.17 76.09 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.936 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -15.59 58.07 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.183 -0.948 . . . . 0.0 110.178 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 HG13 ' A' ' 7' ' ' VAL . 26.1 tp -51.67 -38.93 57.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.094 -1.004 . . . . 0.0 109.589 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -64.52 -49.55 70.88 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 109.757 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.65 23.23 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.929 . . . . 0.0 109.752 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -82.28 -33.92 28.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.0 109.428 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.79 -28.73 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.654 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' NH2 . 4.6 tt0 -52.94 -53.5 48.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.433 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -51.4 -5.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.43 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.024 -1.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CZ2' HD13 ' A' ' 3' ' ' LEU . 27.1 p-90 -46.86 -35.14 6.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.173 -0.955 . . . . 0.0 109.717 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.574 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -55.81 -46.37 78.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -47.62 -33.99 7.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.035 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.12 -38.57 35.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.332 -0.855 . . . . 0.0 109.488 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.9 8.08 34.03 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.251 -0.906 . . . . 0.0 109.864 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 43.4 t -90.39 -72.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.115 -0.991 . . . . 0.0 109.291 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -48.49 -23.61 1.02 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.148 -0.97 . . . . 0.0 109.236 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -67.78 -54.22 20.91 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.269 -0.895 . . . . 0.0 109.75 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.2 pt-20 -62.32 -41.02 98.19 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.967 . . . . 0.0 109.667 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 13.1 mt -70.11 -18.6 63.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.267 -0.896 . . . . 0.0 109.811 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -59.22 -22.85 61.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.183 -0.948 . . . . 0.0 109.75 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.98 -62.08 1.69 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -15.44 63.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 109.243 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 2.1 mm-40 -74.21 -20.62 60.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.364 -0.835 . . . . 0.0 109.176 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.45 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.534 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.5 27.59 1.47 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.65 -136.19 24.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.806 -1.318 . . . . 0.0 109.806 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.2 p -108.5 61.36 0.61 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.599 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -149.0 68.43 1.05 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.216 -0.928 . . . . 0.0 109.54 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 167.36 38.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.279 -0.888 . . . . 0.0 109.605 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.512 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.1 t30 -93.1 20.51 6.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.381 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.46 -42.38 1.97 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.405 -0.81 . . . . 0.0 109.463 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.21 -22.68 52.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 3.6 mt -50.86 -34.92 30.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 0.0 109.643 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 10.3 mmp_? -75.22 -43.13 53.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.623 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.51 -7.74 34.99 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.244 -0.91 . . . . 0.0 109.755 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 tpt -74.51 -47.0 35.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 2.6 pt-20 -47.72 -24.1 0.86 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.22 -0.925 . . . . 0.0 109.561 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -69.31 0.28 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.268 -0.895 . . . . 0.0 109.673 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -64.73 -13.15 53.68 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.413 -0.804 . . . . 0.0 109.836 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -57.31 -50.45 72.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.703 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -14.95 59.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.133 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.52 37.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.58 -34.74 35.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.146 -0.971 . . . . 0.0 109.852 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 32' ' ' LEU . 63.1 mt -55.67 -20.74 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.659 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.1 -34.02 3.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.916 . . . . 0.0 109.597 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -169.14 103.94 0.38 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.249 -0.907 . . . . 0.0 109.485 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 24.9 p-90 -47.07 -36.0 7.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 0.0 110.026 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.569 ' HG ' ' CZ2' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -57.1 -46.51 82.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -49.74 -29.65 8.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -38.66 24.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.585 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -88.67 4.32 47.62 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.167 -0.958 . . . . 0.0 109.938 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 83.2 t -90.2 -42.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.06 -1.025 . . . . 0.0 109.474 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -60.06 -55.16 37.36 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.242 -0.911 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.54 -34.94 69.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -0.872 . . . . 0.0 109.263 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.26 -57.52 12.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.297 -0.877 . . . . 0.0 109.38 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.92 -10.9 43.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.307 -0.87 . . . . 0.0 109.478 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.95 -32.76 74.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.622 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.83 94.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.199 -0.938 . . . . 0.0 109.762 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -24.29 65.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.734 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.66 3.97 32.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.143 -0.973 . . . . 0.0 109.623 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.83 31.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.0 109.677 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.91 26.63 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.92 . . . . 0.0 109.503 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . 56.98 -115.05 5.98 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.3 m 76.63 51.13 0.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.285 -1.126 . . . . 0.0 109.361 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 48.79 49.8 18.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 p -114.68 -1.78 13.21 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HA ' HD11 ' A' ' 25' ' ' LEU . 8.9 p30 -89.76 16.09 8.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.217 -0.927 . . . . 0.0 109.595 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.08 -45.16 2.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.633 -0.667 . . . . 0.0 109.419 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -78.88 -6.15 55.4 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -53.49 -31.41 45.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.906 . . . . 0.0 109.549 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -72.44 -46.71 53.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.166 -0.959 . . . . 0.0 109.394 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -15.32 63.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.405 -0.809 . . . . 0.0 109.653 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.1 tpt -69.11 -36.51 77.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 109.5 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 30' ' ' ALA . 16.6 pt-20 -49.47 -43.19 44.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.105 -0.997 . . . . 0.0 109.178 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 29' ' ' GLU . . . -64.19 -48.95 73.93 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.248 -0.908 . . . . 0.0 109.395 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -56.23 -25.75 48.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.304 -0.872 . . . . 0.0 109.667 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.99 -64.45 0.9 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.342 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -42.36 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.31 -0.869 . . . . 0.0 109.539 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.65 20.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.277 -0.89 . . . . 0.0 109.463 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 tt0 -77.38 -61.21 2.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.89 . . . . 0.0 109.398 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 35' ' ' GLU . 6.3 mm -44.31 -32.66 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.224 -0.922 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.07 -72.07 0.07 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.896 . . . . 0.0 109.336 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 61.96 0.43 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 109.483 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.029 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 3' ' ' LEU . 26.4 p-90 -58.43 -37.12 74.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.214 -0.929 . . . . 0.0 109.418 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -56.55 -26.87 56.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.635 -0.665 . . . . 0.0 110.313 -178.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -64.02 -35.47 80.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.921 -1.112 . . . . 0.0 108.91 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -78.3 -49.0 14.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.365 -0.834 . . . . 0.0 109.174 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -71.3 -9.83 58.76 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 110.004 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 12.8 t -90.73 -57.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.34 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 5' ' ' ALA . 22.7 pt-20 -46.59 -42.5 16.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.566 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 8' ' ' GLU . 2.0 tp60 -62.84 -49.33 75.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.309 -0.869 . . . . 0.0 109.773 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -36.64 64.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.886 . . . . 0.0 109.886 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD11 ' CG ' ' A' ' 28' ' ' MET . 27.7 mt -73.17 -33.82 65.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.091 -1.006 . . . . 0.0 110.043 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.98 71.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.952 . . . . 0.0 109.962 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 -56.81 15.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 109.889 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.3 -11.94 60.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' A' ' 25' ' ' LEU . 3.9 mm-40 -94.7 -12.29 27.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.438 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.36 -46.87 73.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 0.0 109.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -156.77 65.77 0.53 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . -90.42 40.92 2.97 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 71.7 p 47.64 75.66 0.13 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -1.153 . . . . 0.0 109.603 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' THR . 2.9 t70 75.91 52.84 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.31 20.49 8.13 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.23 -0.919 . . . . 0.0 109.654 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' HA ' HD13 ' A' ' 25' ' ' LEU . 10.5 t-20 -91.87 24.85 3.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.929 . . . . 0.0 109.45 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.75 -45.66 1.75 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.408 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -59.81 -15.38 20.31 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.285 -0.884 . . . . 0.0 109.407 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 22.6 mt -44.73 -30.37 0.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.0 109.542 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' NH1' ' HG2' ' A' ' 26' ' ' ARG . 7.6 mmp_? -70.32 -48.48 56.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -13.59 15.0 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.769 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.461 ' CG ' HD11 ' A' ' 11' ' ' LEU . 15.6 ttp -63.07 -40.76 98.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 0.0 109.78 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -47.74 79.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.246 -0.909 . . . . 0.0 109.807 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.34 84.49 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.241 -0.912 . . . . 0.0 110.013 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -33.21 75.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.2 -0.937 . . . . 0.0 110.014 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -54.18 -59.67 4.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 109.642 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -59.55 -20.09 53.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.719 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.36 -32.98 74.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.165 -0.959 . . . . 0.0 109.736 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.43 -63.26 1.32 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.757 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 1.4 pt -49.12 -34.75 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.21 -0.931 . . . . 0.0 109.645 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.0 mm-40 -45.41 -63.6 0.91 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.0 109.372 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.01 63.3 0.66 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.226 -0.921 . . . . 0.0 109.472 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.979 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.227 0.537 . . . . 0.0 109.657 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.616 ' CZ2' ' CD1' ' A' ' 3' ' ' LEU . 28.4 p-90 -54.16 -33.23 57.47 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 110.134 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.616 ' CD1' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -56.42 -37.1 69.73 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.194 -0.941 . . . . 0.0 109.775 -179.144 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.42 -40.15 11.69 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.14 -40.26 74.91 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -52.29 -34.46 46.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 0.0 109.197 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 t -82.95 -31.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 121.537 -0.727 . . . . 0.0 110.081 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.55 -60.77 2.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.734 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 1.1 mt-30 -49.86 -36.19 26.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.938 . . . . 0.0 109.695 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.19 -58.48 8.47 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.691 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.34 -14.93 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.188 -0.945 . . . . 0.0 109.949 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -58.86 -46.7 87.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.067 -1.02 . . . . 0.0 109.292 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.15 65.83 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.2 -0.937 . . . . 0.0 109.328 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.19 -36.96 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.408 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -91.87 0.15 57.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 0.0 109.483 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 17' ' ' ARG . . . -73.91 -19.97 60.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER 176.0 77.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.297 -0.877 . . . . 0.0 109.442 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.79 -84.22 0.73 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.5 93.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.176 -1.19 . . . . 0.0 109.643 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.51 55.43 6.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t -96.29 0.5 50.94 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.089 -1.007 . . . . 0.0 109.616 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.437 ' HA ' HD13 ' A' ' 25' ' ' LEU . 18.9 t30 -93.9 21.4 6.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.926 . . . . 0.0 109.477 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.9 -42.33 2.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.109 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.6 mt-10 -75.43 -0.48 20.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 109.605 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 22' ' ' ASN . 8.5 mt -43.08 -29.83 0.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 0.0 109.962 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 26' ' ' ARG . 5.4 mmt180 -68.55 -60.87 2.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.132 -0.98 . . . . 0.0 109.416 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.64 -8.46 20.57 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.22 -0.925 . . . . 0.0 109.698 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.436 ' HE1' HD21 ' A' ' 25' ' ' LEU . 9.7 ttp -75.42 -44.86 42.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.143 -0.973 . . . . 0.0 109.566 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.53 -36.84 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 109.098 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.95 61.84 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.301 -0.874 . . . . 0.0 109.262 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -60.49 -21.06 61.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.333 -0.854 . . . . 0.0 109.429 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -57.02 12.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 16.8 mttm -62.61 -28.68 70.06 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.675 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 37' ' ' GLN . . . -63.71 -46.67 84.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.97 . . . . 0.0 109.497 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -60.02 3.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -0.911 . . . . 0.0 109.523 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -55.66 -23.46 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.548 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -43.65 -40.52 4.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 0.0 109.615 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.03 -55.43 5.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 0.0 109.439 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.209 0.528 . . . . 0.0 109.787 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.618 ' CZ2' ' CD1' ' A' ' 3' ' ' LEU . 26.9 p-90 -59.65 -38.47 81.5 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.22 -0.925 . . . . 0.0 110.028 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.618 ' CD1' ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -57.57 -21.85 41.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.795 . . . . 0.0 110.172 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' HE2' HD12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -69.08 -35.17 76.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.015 . . . . 0.0 108.884 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.1 -28.38 25.63 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.418 -0.801 . . . . 0.0 109.737 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.16 -10.31 44.97 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.088 -1.008 . . . . 0.0 110.198 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 3' ' ' LEU . 9.7 p -90.54 -33.65 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.001 -1.062 . . . . 0.0 109.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' N ' HG11 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -68.35 -39.22 81.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 109.685 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -46.76 81.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.206 -0.934 . . . . 0.0 109.655 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -45.5 80.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.137 -0.977 . . . . 0.0 109.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 7' ' ' VAL . 6.8 mt -68.23 -9.58 48.21 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.749 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -73.71 -54.68 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.722 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.07 -19.9 61.96 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.3 -0.875 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.92 -44.92 37.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.632 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.42 -15.38 56.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 109.575 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.75 -46.94 23.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.2 -0.938 . . . . 0.0 109.486 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.05 51.04 0.86 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.68 179.14 21.89 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -121.69 19.02 11.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -1.131 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -165.04 51.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.2 m -68.93 -169.75 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 0.0 109.751 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.1 t30 54.8 19.35 2.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.437 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.85 -43.57 0.58 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.485 -0.759 . . . . 0.0 109.562 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 28' ' ' MET . 60.3 mm-40 -85.61 23.59 1.36 Allowed 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.227 -0.921 . . . . 0.0 110.067 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 22' ' ' ASN . 21.6 mt -78.98 -66.35 0.88 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.08 -1.013 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 8.0 mmp_? -60.53 -37.95 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 0.0 109.405 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.52 73.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.535 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 5.0 tmm? -65.67 -24.18 66.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.0 109.569 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.11 -50.2 69.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 -179.774 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -58.9 4.79 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.827 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -20.14 13.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 24.1 tp -65.83 -48.89 70.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.918 . . . . 0.0 109.788 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -22.62 58.08 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.274 -0.891 . . . . 0.0 110.046 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.09 -28.88 39.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.107 -0.996 . . . . 0.0 110.002 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' NH2 . 0.6 OUTLIER -87.95 -42.4 12.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.01 . . . . 0.0 109.678 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 HD12 ' HE2' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -55.85 -32.21 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.681 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.8 -38.13 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -173.89 -19.17 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.269 -0.894 . . . . 0.0 109.49 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.603 ' CE2' ' CD2' ' A' ' 3' ' ' LEU . 39.3 p-90 -55.25 -24.36 27.5 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.024 -1.047 . . . . 0.0 109.709 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.603 ' CD2' ' CE2' ' A' ' 2' ' ' TRP . 2.5 mm? -49.49 -40.92 39.19 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.277 -0.89 . . . . 0.0 109.069 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -43.79 64.04 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.515 -0.741 . . . . 0.0 109.543 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.52 -45.33 65.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -76.02 -2.33 30.1 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.091 -1.006 . . . . 0.0 109.984 -179.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 45.4 t -90.2 -54.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.172 -0.955 . . . . 0.0 109.305 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.09 -33.14 74.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.0 109.172 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -29.95 70.4 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.318 -0.864 . . . . 0.0 109.459 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -59.25 2.84 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.321 -0.862 . . . . 0.0 109.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -59.01 -25.54 63.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.227 -0.92 . . . . 0.0 109.775 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -74.45 -28.21 60.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 0.0 109.78 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.81 -13.0 61.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.186 -0.946 . . . . 0.0 109.722 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -90.0 -36.69 14.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 0.0 109.689 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' OE2' HD22 ' A' ' 25' ' ' LEU . 45.0 mt-10 -85.81 -10.6 55.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.256 -0.902 . . . . 0.0 109.749 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.44 -4.88 28.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -144.89 62.11 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.216 -0.928 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.88 147.48 10.5 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.7 p -120.42 23.32 10.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.312 -1.11 . . . . 0.0 109.5 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -142.47 63.62 1.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.893 . . . . 0.0 109.406 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -171.86 27.98 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -96.71 18.13 15.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.196 -0.94 . . . . 0.0 109.137 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.03 -33.52 4.14 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -86.72 25.54 1.25 Allowed 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.283 -0.886 . . . . 0.0 109.855 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.518 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -81.03 -18.98 44.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.642 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -75.87 -38.61 57.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.0 109.563 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -21.4 66.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.905 . . . . 0.0 109.757 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 48.0 ttp -74.23 -21.24 59.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -59.36 -54.83 42.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 109.515 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.08 71.7 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.237 -0.915 . . . . 0.0 109.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -16.04 30.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.247 -0.908 . . . . 0.0 109.907 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -65.56 0.57 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.178 -0.951 . . . . 0.0 109.473 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -64.41 -30.6 71.64 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.234 -0.916 . . . . 0.0 109.753 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.578 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.94 34.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.14 -0.975 . . . . 0.0 109.509 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.0 mt -47.2 -34.23 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.916 . . . . 0.0 109.443 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.14 -69.96 0.39 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.851 . . . . 0.0 109.535 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -51.88 -22.8 4.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.928 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.582 ' CE2' HD13 ' A' ' 3' ' ' LEU . 27.8 p-90 -54.59 -33.32 60.15 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.337 -0.852 . . . . 0.0 109.876 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.582 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -54.82 -34.9 63.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.469 -0.769 . . . . 0.0 110.331 -178.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -35.75 69.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 109.47 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.3 -41.45 28.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 109.634 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 2.8 ppt_? -80.96 -2.89 49.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 110.035 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 37.6 t -91.28 -41.06 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.152 -0.967 . . . . 0.0 109.621 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -62.33 -61.23 2.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.302 -0.874 . . . . 0.0 109.663 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 11.0 pt20 -48.74 -26.09 2.17 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.566 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 6.8 mm-40 -68.81 -64.03 0.95 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.185 -0.947 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' HG2' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.39 -12.16 40.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -82.9 -47.56 11.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.056 -1.027 . . . . 0.0 109.733 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.79 66.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.206 -0.933 . . . . 0.0 109.729 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -65.54 0.68 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 109.485 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 pt-20 -63.29 -12.28 28.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.3 -25.3 22.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.86 53.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.23 -37.42 0.46 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 p 48.52 22.99 0.54 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.199 -1.177 . . . . 0.0 109.502 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 21' ' ' SER . 1.6 t70 -143.06 48.11 1.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.167 -0.958 . . . . 0.0 109.456 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 174.64 34.2 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.393 -0.817 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.4 t30 -90.19 18.2 6.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -0.878 . . . . 0.0 109.234 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.21 -38.87 2.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.575 -0.703 . . . . 0.0 109.54 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.88 -5.83 18.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.316 -0.865 . . . . 0.0 110.004 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.529 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mt -60.97 -47.23 87.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 109.682 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -38.72 91.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 0.0 109.626 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -8.59 53.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.232 -0.917 . . . . 0.0 109.628 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.523 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 11.6 tpt -71.7 -33.28 68.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.928 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.3 -35.0 59.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.604 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -58.21 9.29 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.265 -0.897 . . . . 0.0 109.808 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -22.43 61.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.652 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.89 -70.42 0.15 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.289 -0.882 . . . . 0.0 109.787 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -13.97 13.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.902 . . . . 0.0 109.886 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.92 70.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.761 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -86.03 -52.32 5.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.805 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.88 -21.37 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.179 -0.951 . . . . 0.0 109.697 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -55.43 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.129 -0.982 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 23.68 0.34 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.321 -0.862 . . . . 0.0 109.582 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.585 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 58.7 p-90 -57.65 -32.24 67.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.557 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' A' ' 6' ' ' ARG . 5.1 tp -59.17 -32.97 70.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.7 -0.625 . . . . 0.0 109.462 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -36.21 58.08 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.88 -37.36 81.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.585 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -49.59 -41.61 42.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 108.845 179.407 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.23 -36.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.506 -0.746 . . . . 0.0 110.063 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -60.0 4.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 2.4 pt20 -55.51 -23.61 27.22 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.35 -0.844 . . . . 0.0 109.377 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 3.8 tt0 -69.19 -60.88 2.05 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.258 -0.901 . . . . 0.0 109.681 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.57 4.97 14.26 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.233 -0.917 . . . . 0.0 109.893 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -66.86 -64.25 0.89 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.9 -16.02 59.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.255 -0.903 . . . . 0.0 109.81 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CG ' ' HE2' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.64 -40.02 88.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.0 109.583 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.73 -42.49 10.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.84 75.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.432 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.01 67.46 1.47 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.876 . . . . 0.0 109.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' THR . . . -97.82 18.54 57.07 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 18' ' ' GLY . 2.3 t 39.64 74.04 0.1 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.549 -0.971 . . . . 0.0 109.865 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER 75.63 54.23 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.343 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 m -120.9 21.2 11.47 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.288 -0.882 . . . . 0.0 109.695 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.401 ' HA ' HD11 ' A' ' 25' ' ' LEU . 19.9 p30 -87.31 13.35 9.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.728 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.19 -45.69 2.1 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.625 -0.672 . . . . 0.0 109.369 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -76.73 1.4 17.27 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -56.04 -20.59 17.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 109.676 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -50.89 52.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.9 . . . . 0.0 109.499 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -26.35 22.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -0.896 . . . . 0.0 109.732 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.49 ' HE2' ' CG ' ' A' ' 14' ' ' LEU . 1.1 tpp -66.03 -41.34 91.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -38.34 64.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 109.767 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.09 3.58 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.202 -0.936 . . . . 0.0 110.021 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -68.66 -5.02 17.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.219 -0.926 . . . . 0.0 110.192 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD21 ' N ' ' A' ' 33' ' ' LYS . 7.0 tt -74.84 -73.32 0.25 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.026 -1.046 . . . . 0.0 110.047 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -66.69 -8.6 28.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 110.006 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.4 -44.37 12.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.18 -28.62 34.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.949 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 33' ' ' LYS . 16.4 tt -76.96 -34.66 22.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.248 -0.908 . . . . 0.0 109.665 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 18.4 tt0 -49.37 -33.78 14.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.316 -0.865 . . . . 0.0 109.446 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER 168.05 58.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.417 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.968 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . 0.45 ' C2 ' ' CD1' ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.534 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 32.9 p-90 -59.13 -34.51 72.14 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.297 -0.877 . . . . 0.0 109.966 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.525 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -53.17 -24.66 11.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.508 -0.745 . . . . 0.0 110.485 -178.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -39.22 83.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.949 -1.095 . . . . 0.0 109.131 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.98 36.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.36 -0.837 . . . . 0.0 109.598 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.534 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.67 -18.77 46.94 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.0 109.446 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 54.8 t -82.03 -36.4 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 121.086 -1.009 . . . . 0.0 109.202 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.02 -24.86 63.19 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.275 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -65.51 -63.0 1.2 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.316 -0.865 . . . . 0.0 109.733 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.78 -43.12 62.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.94 . . . . 0.0 109.589 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 HD13 HG13 ' A' ' 7' ' ' VAL . 10.5 mt -54.81 -51.26 66.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.701 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.87 -22.05 66.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.196 -0.94 . . . . 0.0 109.528 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.29 -31.89 66.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.235 -0.915 . . . . 0.0 109.754 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -46.29 20.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.194 -0.941 . . . . 0.0 109.756 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -67.28 -26.61 66.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.935 . . . . 0.0 109.506 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.6 -10.64 57.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.225 -0.922 . . . . 0.0 109.616 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -145.38 58.54 1.27 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.123 -0.986 . . . . 0.0 109.601 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.77 131.96 3.83 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.9 p -112.48 8.37 19.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -1.149 . . . . 0.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.77 65.59 0.53 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.405 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.419 ' O ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER 179.61 32.28 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.52 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-20 -94.1 21.69 6.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.216 -0.927 . . . . 0.0 109.198 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.13 -43.03 1.97 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.441 -0.787 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -25.92 42.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.251 -0.906 . . . . 0.0 109.364 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.52 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.3 mt -50.54 -41.2 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.255 -0.903 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -51.18 -51.09 57.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.23 -0.919 . . . . 0.0 109.159 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.6 71.54 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.269 -0.895 . . . . 0.0 109.436 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 tpp -61.98 -27.39 68.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -52.87 -50.58 63.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.188 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.52 93.28 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.24 -0.912 . . . . 0.0 109.349 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -26.22 60.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.36 -0.837 . . . . 0.0 109.595 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -61.11 -47.76 84.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.154 -0.966 . . . . 0.0 109.635 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 20.0 ttpt -61.3 -26.65 67.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.826 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.2 69.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.198 -0.939 . . . . 0.0 109.819 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -64.62 1.11 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.089 -1.007 . . . . 0.0 109.883 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.518 ' CG1' ' HA ' ' A' ' 33' ' ' LYS . 1.3 pt -46.88 -23.9 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 109.906 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -50.56 14.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.136 -0.978 . . . . 0.0 109.569 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -61.16 2.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.004 -1.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 121.098 0.475 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.592 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 37.1 p-90 -52.5 -23.29 5.97 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 109.874 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.591 ' CD2' ' NE1' ' A' ' 2' ' ' TRP . 3.6 mm? -55.56 -46.7 77.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.913 . . . . 0.0 109.111 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -36.99 6.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.442 -0.787 . . . . 0.0 109.642 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.66 -40.89 55.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.943 . . . . 0.0 109.451 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.592 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.54 7.72 28.26 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.308 -0.87 . . . . 0.0 109.949 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 54.4 t -89.33 -58.45 3.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.077 -1.014 . . . . 0.0 109.889 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -50.07 63.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.178 -0.951 . . . . 0.0 109.513 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -58.66 -29.11 66.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.0 109.819 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -56.29 7.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 110.141 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -85.82 19.91 2.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.108 -0.995 . . . . 0.0 110.257 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 13' ' ' ALA . 9.8 pt20 -75.88 -42.15 50.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.927 -1.108 . . . . 0.0 109.497 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' N ' ' HG3' ' A' ' 12' ' ' GLN . . . -78.76 -10.44 59.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.199 -0.938 . . . . 0.0 109.437 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.09 -45.68 59.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.903 . . . . 0.0 109.437 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 0.8 OUTLIER -73.36 -22.11 60.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.527 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -68.63 -30.7 69.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.24 -0.913 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.76 57.89 1.03 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.215 -0.928 . . . . 0.0 109.599 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.56 125.13 4.28 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -91.71 15.65 12.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -1.135 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -144.98 81.82 1.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.36 -0.837 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.14 -148.86 0.27 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 8.6 t-20 60.03 16.13 5.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.905 . . . . 0.0 109.419 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.02 -50.94 0.26 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.495 -0.753 . . . . 0.0 109.546 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.59 -4.78 55.39 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.385 -0.822 . . . . 0.0 109.873 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.527 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -45.58 -34.59 3.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 7.1 mmp_? -74.38 -46.14 42.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.516 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.17 20.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.16 -0.963 . . . . 0.0 109.599 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.84 -40.16 96.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 109.542 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.53 -38.46 81.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.174 -0.954 . . . . 0.0 109.537 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.45 2.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.267 -0.896 . . . . 0.0 109.806 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.89 -18.41 62.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.918 . . . . 0.0 109.873 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 32' ' ' LEU . 6.1 tt -51.15 -67.22 0.27 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HA ' ' CG1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.89 -18.35 8.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.603 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.71 -39.02 64.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.552 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -72.41 -52.4 16.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.564 ' CG1' ' HA ' ' A' ' 33' ' ' LYS . 1.1 pt -57.25 -33.13 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.174 -0.954 . . . . 0.0 109.616 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 27.9 tt0 -57.65 -56.55 20.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -0.901 . . . . 0.0 109.213 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -70.5 53.47 0.14 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.954 -1.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.266 0.555 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 29.1 p-90 -63.56 -33.3 75.29 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.226 -0.921 . . . . 0.0 110.186 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.57 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -59.28 -17.51 29.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.291 -0.88 . . . . 0.0 110.428 -178.736 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -74.95 -31.81 61.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.962 -1.087 . . . . 0.0 108.973 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.2 -29.14 20.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.461 -0.774 . . . . 0.0 109.486 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.71 -17.62 31.34 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.247 -0.908 . . . . 0.0 109.831 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 32' ' ' LEU . 9.8 p -85.6 -26.13 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 O-C-N 121.228 -0.92 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -68.48 -49.7 57.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.446 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -44.69 78.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.265 -0.897 . . . . 0.0 109.711 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.5 -48.32 82.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.799 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.15 -13.49 37.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -0.873 . . . . 0.0 109.83 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.03 -18.8 65.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.987 . . . . 0.0 109.872 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -18.44 59.82 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.179 -0.95 . . . . 0.0 109.375 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -75.09 0.18 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.34 -0.85 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.21 -22.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -63.57 1.08 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.65 44.81 0.99 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.71 117.22 1.0 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -106.1 15.53 26.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -1.133 . . . . 0.0 109.483 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 21' ' ' SER . 32.2 t0 -116.02 62.38 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 40.3 t 177.34 37.09 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.583 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -91.1 16.25 10.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.48 -39.77 2.74 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.663 -0.648 . . . . 0.0 109.481 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.56 10.47 8.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.339 -0.85 . . . . 0.0 109.537 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.87 -32.12 60.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 109.493 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -43.6 40.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.882 . . . . 0.0 109.336 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.38 -12.74 60.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.23 -0.919 . . . . 0.0 109.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -31.49 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 109.401 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt-10 -59.74 -34.03 72.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.221 -0.924 . . . . 0.0 109.25 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.63 76.23 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 2.6 mttp -62.57 -20.42 64.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.312 -0.868 . . . . 0.0 109.665 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.22 -40.71 74.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.191 -0.943 . . . . 0.0 109.739 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.91 -31.21 64.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.725 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 31' ' ' LYS . . . -61.23 -34.12 74.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.935 . . . . 0.0 109.584 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -62.92 1.35 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 109.551 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.8 mp -50.6 -26.2 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.15 -0.969 . . . . 0.0 109.495 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ILE . 32.5 tt0 -45.08 -58.65 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -0.965 . . . . 0.0 109.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 3.7 tptp -64.19 -38.1 89.83 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.326 -0.859 . . . . 0.0 109.534 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.91 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CZ2' HD13 ' A' ' 3' ' ' LEU . 27.5 p-90 -50.75 -35.18 30.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.301 -0.875 . . . . 0.0 109.687 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.574 HD13 ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -54.19 -42.58 69.89 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.485 -0.759 . . . . 0.0 109.696 -178.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -45.95 -38.73 7.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.95 33.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 109.654 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.566 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.04 4.74 11.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.134 -0.979 . . . . 0.0 110.04 -179.605 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 52.7 t -86.95 -68.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.112 -0.992 . . . . 0.0 109.656 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' VAL . 5.4 tp10 -45.32 -41.16 8.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.181 -0.949 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.02 -47.86 81.25 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.302 -0.874 . . . . 0.0 109.466 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -48.25 68.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.612 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.0 mt -57.13 -37.23 71.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.22 -0.925 . . . . 0.0 109.589 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -56.87 -37.84 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.78 63.05 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.276 -0.89 . . . . 0.0 109.694 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.03 -34.19 76.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.669 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 -7.14 43.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.16 -0.963 . . . . 0.0 109.544 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.26 62.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.527 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.49 54.03 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.497 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.57 173.31 23.73 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.53 19.55 16.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -1.189 . . . . 0.0 109.387 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.27 51.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -79.33 -170.11 2.16 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.325 -0.86 . . . . 0.0 109.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.557 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 2.5 m120 57.57 17.17 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.18 -45.65 0.42 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.444 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 28' ' ' MET . 1.6 mm-40 -83.45 14.35 3.76 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.349 -0.844 . . . . 0.0 110.009 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.557 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.2 mt -71.33 -72.99 0.19 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.011 -1.056 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -39.62 83.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.339 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.62 88.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 109.534 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.458 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 2.0 ttp -70.6 -16.29 62.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.35 -35.9 82.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.539 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.32 70.93 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.191 -0.943 . . . . 0.0 109.784 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -84.0 -15.81 46.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.243 -0.911 . . . . 0.0 109.841 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.46 -66.43 0.39 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.744 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HA ' HG12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -64.63 -9.07 16.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.23 -25.58 42.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.405 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.85 -40.26 12.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG13 ' N ' ' A' ' 37' ' ' GLN . 43.2 pt -47.74 -34.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.514 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.522 ' N ' HG13 ' A' ' 36' ' ' ILE . 7.5 tt0 -51.13 -69.85 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.266 -0.897 . . . . 0.0 109.219 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -85.58 45.25 1.18 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.32 -0.863 . . . . 0.0 109.54 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.991 -1.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.1 t70 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.58 ' CE2' HD13 ' A' ' 3' ' ' LEU . 24.0 p-90 -57.47 -42.11 81.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.264 -0.897 . . . . 0.0 110.131 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.58 HD13 ' CE2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -50.61 -27.39 6.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.37 -0.831 . . . . 0.0 109.894 -179.022 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -44.26 96.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.101 -0.999 . . . . 0.0 108.978 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.67 -32.06 60.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.473 -0.767 . . . . 0.0 109.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -86.82 -5.62 59.05 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.056 -1.028 . . . . 0.0 110.061 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 10.9 t -89.68 -35.65 7.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.105 -0.997 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.32 -54.61 22.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.618 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 12.3 pt20 -62.85 -14.87 51.28 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.216 -0.927 . . . . 0.0 109.823 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.38 -51.0 8.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.193 -0.942 . . . . 0.0 109.757 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HD22 ' A' ' 14' ' ' LEU . 92.4 mt -66.23 -25.93 67.13 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.256 -0.902 . . . . 0.0 109.895 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -52.7 -20.27 3.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.143 -0.973 . . . . 0.0 109.503 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.56 67.98 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -73.96 -21.39 60.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.2 tm-20 -92.49 -3.97 54.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 109.525 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.57 -18.89 39.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -173.71 81.42 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.6 -172.04 13.92 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.41 -104.52 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.234 -1.157 . . . . 0.0 109.409 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.36 53.31 2.44 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.176 -0.952 . . . . 0.0 109.435 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -86.0 19.04 2.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.24 -0.912 . . . . 0.0 109.946 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 6.6 m120 -90.89 22.9 3.39 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.096 -1.002 . . . . 0.0 109.339 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.0 -47.56 1.64 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 109.515 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LEU . 11.8 mm-40 -62.46 -12.29 21.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.238 -0.914 . . . . 0.0 109.572 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -43.38 -38.09 2.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -70.48 -46.71 63.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.168 -0.957 . . . . 0.0 109.258 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -5.94 32.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.293 -0.88 . . . . 0.0 109.415 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 26.0 ttp -74.18 -43.21 58.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.392 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.77 -35.53 77.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.918 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.08 -56.07 15.15 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.248 -0.908 . . . . 0.0 109.693 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' MET . 25.6 pttt -61.85 -15.88 45.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.257 -0.902 . . . . 0.0 109.638 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.97 -72.77 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 109.464 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.49 -5.29 23.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.35 -0.844 . . . . 0.0 109.789 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.4 -28.08 31.65 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.956 . . . . 0.0 109.447 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -88.16 -34.2 17.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.432 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 33' ' ' LYS . 2.4 pp -45.15 -33.16 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.707 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -51.11 -66.06 0.45 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -117.47 70.64 0.79 Allowed 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.172 -0.955 . . . . 0.0 109.522 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.981 -1.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . 0.58 ' O3 ' ' CD1' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.58 ' CD1' ' O3 ' ' A' ' 0' ' ' SIN . 26.4 p-90 -45.66 -36.91 5.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.109 -0.994 . . . . 0.0 109.652 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.557 ' HG ' ' CZ2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -57.46 -47.74 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.539 -0.725 . . . . 0.0 109.53 -179.051 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -48.05 -29.79 3.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.936 . . . . 0.0 109.004 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.02 -36.94 27.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.336 -0.852 . . . . 0.0 109.502 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.36 4.79 47.78 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.714 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 66.3 t -91.08 -46.68 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.18 -0.95 . . . . 0.0 109.748 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -53.85 -25.49 20.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.346 -0.846 . . . . 0.0 109.722 -179.626 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.72 -43.78 71.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.272 -0.892 . . . . 0.0 109.416 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.77 -57.06 12.24 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.585 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.483 HD13 ' CG1' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -58.21 -33.77 69.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.682 -179.78 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' GLU . 2.7 mt-30 -68.25 -31.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.158 -0.964 . . . . 0.0 109.496 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.8 73.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -20.65 62.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.442 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.8 -13.94 17.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.376 -0.828 . . . . 0.0 109.476 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.33 60.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.608 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.41 44.67 2.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.0 109.477 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.86 161.93 33.69 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 t -128.22 40.03 3.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.267 -1.137 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 21' ' ' SER . 0.3 OUTLIER -154.76 74.54 0.94 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 0.0 109.333 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 1.1 t 179.61 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.255 -0.903 . . . . 0.0 109.428 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -103.11 23.38 12.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.439 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.95 -43.94 1.49 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -72.59 -2.1 18.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 28' ' ' MET . 34.5 mt -50.45 -23.28 2.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.7 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -34.06 16.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 109.568 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.54 60.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 110.004 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 21.5 ptt? -67.68 -28.06 67.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -0.996 . . . . 0.0 109.756 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.79 -38.68 79.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.881 . . . . 0.0 109.823 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.36 -54.68 37.22 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.178 -0.952 . . . . 0.0 109.757 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.39 75.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.876 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.77 -49.36 71.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.737 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.33 -24.99 68.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.879 -179.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.28 52.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.951 . . . . 0.0 109.664 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.94 -37.67 54.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.953 . . . . 0.0 109.791 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -49.31 -35.31 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.551 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -61.18 2.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.877 . . . . 0.0 109.477 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -50.53 -69.33 0.12 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.514 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.959 -1.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 4' ' ' LYS . 4.4 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.131 0.491 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.578 ' NE1' ' CD1' ' A' ' 3' ' ' LEU . 27.2 p-90 -52.8 -34.01 51.61 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.163 -0.96 . . . . 0.0 109.925 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.578 ' CD1' ' NE1' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -55.68 -39.57 71.15 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.92 -178.713 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER -52.18 -34.37 44.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -33.32 33.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.95 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.53 ' CG ' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.94 0.42 57.09 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.076 -1.015 . . . . 0.0 110.149 -179.499 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 3' ' ' LEU . 99.5 t -90.29 -66.42 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 120.986 -1.071 . . . . 0.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLN . 5.7 pt-20 -49.29 -36.73 21.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.75 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 1.3 tt0 -57.42 -49.56 75.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.235 -0.916 . . . . 0.0 109.478 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.5 77.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.815 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.16 7.06 20.16 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.179 -0.951 . . . . 0.0 110.073 -179.472 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 8' ' ' GLU . 2.2 mt-30 -77.3 -51.4 10.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.057 -1.027 . . . . 0.0 109.474 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HB3' ' NH1' ' A' ' 17' ' ' ARG . . . -57.07 -23.65 48.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.228 -0.92 . . . . 0.0 109.552 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.21 -48.66 78.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 0.0 109.646 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -86.0 -8.15 58.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.34 54.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.282 -0.886 . . . . 0.0 109.54 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 13' ' ' ALA . 6.4 mtt180 -103.15 51.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.211 -0.931 . . . . 0.0 109.516 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.25 106.75 0.22 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.8 p -89.49 25.73 1.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.237 -1.154 . . . . 0.0 109.586 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -107.2 52.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 109.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.79 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -88.06 15.7 7.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.338 -0.851 . . . . 0.0 109.646 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.34 -42.87 2.22 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' OE1' ' HB1' ' A' ' 27' ' ' ALA . 63.3 mm-40 -77.84 2.25 17.81 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.201 -0.937 . . . . 0.0 109.861 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.02 -34.89 45.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.969 . . . . 0.0 109.443 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -71.0 -42.62 69.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.424 ' HB1' ' OE1' ' A' ' 24' ' ' GLU . . . -59.63 -29.7 68.2 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.294 -0.878 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.3 tpt -63.3 -31.27 72.37 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 109.397 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.57 -44.57 90.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -56.93 14.91 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 109.419 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -23.85 66.46 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.254 -0.904 . . . . 0.0 109.453 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.11 -49.52 73.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.847 . . . . 0.0 109.614 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.65 33.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.585 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.42 -37.72 80.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 109.52 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -70.95 -43.19 68.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 0.0 109.635 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.12 -43.23 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.619 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -69.5 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -54.29 -12.91 0.74 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.229 -0.919 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.932 -1.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 4.3 p-10 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.591 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 34.1 p-90 -56.29 -27.1 54.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.335 -0.853 . . . . 0.0 109.809 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -60.72 -35.93 77.57 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.123 -0.986 . . . . 0.0 109.607 -179.417 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' LEU . 1.9 pttm -47.86 -34.33 8.67 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.53 55.63 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.9 mmp_? -52.82 -35.52 57.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.432 -0.792 . . . . 0.0 109.393 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.05 -25.1 5.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.29 -0.882 . . . . 0.0 110.033 -179.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.431 ' OE1' HD12 ' A' ' 32' ' ' LEU . 1.7 tp10 -68.98 -35.79 77.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.156 -0.965 . . . . 0.0 109.865 -179.637 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.58 -51.3 60.78 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.82 -44.68 96.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.232 -0.917 . . . . 0.0 109.672 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.73 -13.7 61.8 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 109.88 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.97 -39.85 83.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.679 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.87 73.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.298 -0.877 . . . . 0.0 109.8 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.15 -46.7 76.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.152 -0.968 . . . . 0.0 109.694 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.08 -39.49 66.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 109.524 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.57 75.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -118.76 45.31 2.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 0.0 109.581 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.8 -0.35 42.34 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.19 73.06 0.34 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.169 -1.195 . . . . 0.0 109.42 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 t70 55.95 49.84 15.07 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 109.48 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 p -86.69 53.37 2.79 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -101.41 15.18 29.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.207 -0.933 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 -48.67 2.23 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.66 -0.65 . . . . 0.0 109.444 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.16 -8.38 30.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.314 -0.866 . . . . 0.0 109.727 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -47.4 -34.49 7.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -49.32 76.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.193 -0.942 . . . . 0.0 109.494 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.78 72.6 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 0.0 109.659 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.411 ' HE1' ' HA ' ' A' ' 28' ' ' MET . 6.0 tpt -60.06 -26.22 65.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.499 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -70.25 -36.68 74.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.897 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.246 -0.909 . . . . 0.0 109.638 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -57.92 -23.92 55.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 109.862 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD12 ' OE1' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -49.83 -61.38 2.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.135 -0.978 . . . . 0.0 109.73 -179.838 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HA ' ' CD1' ' A' ' 36' ' ' ILE . 2.8 tttt -56.91 -28.08 61.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 31' ' ' LYS . . . -65.59 -34.42 78.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.191 -0.943 . . . . 0.0 109.605 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.74 -48.29 26.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 109.687 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 33' ' ' LYS . 4.8 mt -50.77 -32.92 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.246 -0.909 . . . . 0.0 109.452 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -51.51 69.5 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -66.42 -87.53 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.27 -0.893 . . . . 0.0 109.573 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.931 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.238 0.542 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.764 ' CE2' HD12 ' A' ' 3' ' ' LEU . 30.1 p-90 -53.11 -30.51 36.98 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.176 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.764 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -58.37 -38.5 77.4 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.095 -1.003 . . . . 0.0 109.71 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -45.65 -36.71 5.03 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.93 62.61 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -51.55 -30.41 20.54 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.2 t -83.24 -39.36 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.461 -0.775 . . . . 0.0 110.004 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -55.74 30.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.148 -0.97 . . . . 0.0 109.342 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -55.93 -25.41 43.17 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.208 -0.932 . . . . 0.0 109.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -64.44 0.86 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.375 -0.828 . . . . 0.0 109.756 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -77.89 3.5 14.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.232 -0.917 . . . . 0.0 109.953 -179.686 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.6 mt-30 -74.05 -56.9 4.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.584 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.28 -0.887 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.3 -57.45 6.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.145 -0.972 . . . . 0.0 109.588 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.33 -15.44 63.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -68.9 -28.72 66.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.0 109.451 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -130.88 32.16 4.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.368 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.26 111.44 1.43 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.42 44.75 1.0 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -1.155 . . . . 0.0 109.357 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -161.44 55.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.678 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.45 36.21 0.06 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.156 -0.965 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -87.6 14.16 8.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.665 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.41 -43.11 2.19 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.593 -0.692 . . . . 0.0 109.555 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.8 -10.7 39.97 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 109.685 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 18.7 mt -52.67 -45.11 66.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' NH2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.07 -61.99 2.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.717 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.84 -25.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.878 . . . . 0.0 109.833 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 ttm -70.69 -55.35 8.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -46.05 -34.96 4.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.641 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.83 10.97 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.167 -0.958 . . . . 0.0 109.766 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -60.77 -22.2 63.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 109.765 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.5 tp -48.09 -70.8 0.08 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 0.0 109.849 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.944 ' HA ' HD12 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 109.794 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -52.54 -35.45 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.264 -0.897 . . . . 0.0 109.746 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.46 -41.18 61.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.781 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 33' ' ' LYS . 50.1 mt -54.43 -22.15 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.8 tt0 -85.39 42.15 0.93 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 109.86 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.903 . . . . 0.0 109.53 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 6' ' ' ARG . 29.5 p-90 -62.52 -27.74 69.36 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.165 -0.96 . . . . 0.0 109.43 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 1.16 HD13 ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -60.49 -22.72 63.85 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.319 -0.863 . . . . 0.0 109.34 -178.686 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.16 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.15 -38.05 70.35 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.418 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.15 72.7 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -60.48 -37.76 82.06 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 HD22 ' A' ' 3' ' ' LEU . 3.3 t -75.67 -45.37 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.466 -0.771 . . . . 0.0 109.685 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.39 -46.0 55.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.306 -0.871 . . . . 0.0 109.53 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -60.05 -55.7 30.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.206 -0.934 . . . . 0.0 109.674 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.49 -40.73 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 109.89 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 25' ' ' LEU . 6.2 mt -69.7 -38.74 77.08 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.1 tt0 -63.78 -26.14 68.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.105 -0.997 . . . . 0.0 109.778 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.46 -54.9 6.08 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -72.18 -4.45 29.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.943 . . . . 0.0 110.005 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 5.3 tt0 -115.35 -16.03 11.5 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.075 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -89.52 3.73 51.53 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.104 -0.998 . . . . 0.0 109.924 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' GLY . 8.9 mmm180 -143.54 22.73 1.82 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 109.847 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' ARG . . . 40.65 87.43 0.01 OUTLIER Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 19' ' ' THR . 10.1 t -147.28 81.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -1.172 . . . . 0.0 109.539 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 58.58 60.6 2.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.341 -0.85 . . . . 0.0 109.502 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.95 -157.09 0.29 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-80 60.02 15.47 5.1 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -0.85 . . . . 0.0 109.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.11 -53.75 0.39 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.473 -0.767 . . . . 0.0 109.492 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.83 7.17 9.24 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.312 -0.867 . . . . 0.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.529 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.9 mt -51.27 -30.92 19.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 29' ' ' GLU . 5.2 mmp_? -61.09 -43.32 99.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.486 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.82 62.68 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 ttm -58.61 -18.4 29.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 2.9 tt0 -68.57 -49.41 59.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.107 -0.996 . . . . 0.0 109.453 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.8 90.43 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 2.0 mttt -61.2 -20.24 62.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.2 tp -43.15 -69.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HA ' HG12 ' A' ' 36' ' ' ILE . 29.4 mttt -58.66 -27.42 64.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.852 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -53.63 -34.22 57.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.32 -41.61 39.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.189 -0.944 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' A' ' 33' ' ' LYS . 12.1 mm -51.45 -41.4 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.194 -0.941 . . . . 0.0 109.66 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -45.95 70.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.298 -0.876 . . . . 0.0 109.396 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mptt . . . . . 0 N--CA 1.487 1.405 0 O-C-N 121.263 -0.898 . . . . 0.0 109.584 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.612 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 34.2 p-90 -52.5 -25.45 10.31 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.055 -1.028 . . . . 0.0 109.516 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.606 ' CD2' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -55.46 -45.55 76.88 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LEU . 5.1 mtpt -40.94 -35.46 0.52 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.44 -47.71 59.38 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.612 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.0 mmp_? -53.5 -45.63 69.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 7' ' ' VAL . 2.1 t -71.29 -29.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.56 -0.712 . . . . 0.0 109.71 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -28.45 66.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.913 . . . . 0.0 109.237 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -52.06 31.25 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 4.0 mm-40 -59.81 -46.48 89.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.282 -0.886 . . . . 0.0 109.491 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.05 -24.81 64.85 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 109.409 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.817 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.36 -39.34 92.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.617 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -21.38 62.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.244 -0.91 . . . . 0.0 109.786 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 14' ' ' LEU . 1.9 tt -75.15 -60.58 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 109.638 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.21 -4.57 48.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 109.685 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.817 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -71.58 -45.63 61.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 19' ' ' THR . 3.5 ttm180 -87.45 41.47 0.98 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.79 -94.43 0.01 OUTLIER Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ARG . 7.9 m 64.6 28.53 13.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.186 -1.184 . . . . 0.0 109.237 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 47.53 47.05 17.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.239 -0.913 . . . . 0.0 109.27 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -108.6 13.19 25.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.456 -0.777 . . . . 0.0 109.524 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -88.38 21.19 2.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.609 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.42 -40.27 2.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.417 -0.802 . . . . 0.0 109.164 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -86.37 15.63 5.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.345 -0.847 . . . . 0.0 109.529 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 22' ' ' ASN . 20.5 mt -52.59 -26.59 13.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -0.865 . . . . 0.0 109.679 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 3.6 tpp180 -81.41 -33.15 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.611 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.88 -12.49 60.17 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.188 -0.945 . . . . 0.0 109.751 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -39.36 72.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.636 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -33.87 71.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 109.647 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.3 -64.25 1.02 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.233 -0.917 . . . . 0.0 109.802 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -59.29 -25.53 64.19 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.259 -0.901 . . . . 0.0 109.961 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 36' ' ' ILE . 11.3 tp -52.11 -53.78 38.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.128 -0.983 . . . . 0.0 109.527 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.83 -32.38 63.53 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.157 -0.964 . . . . 0.0 109.365 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.15 74.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' OE1' ' CG1' ' A' ' 7' ' ' VAL . 12.9 mt-10 -66.63 -51.05 60.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.356 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.5 mp -56.21 -35.68 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.554 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' LYS . 44.8 mt-30 -52.02 -56.63 13.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.474 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' GLN . 11.9 tttt . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.74 ' NE1' HD12 ' A' ' 3' ' ' LEU . 28.6 p-90 -48.99 -31.69 7.9 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.09 -1.006 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.938 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.84 -44.32 81.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 109.992 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -51.5 -31.06 22.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 109.011 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.73 -36.81 25.47 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.403 -0.811 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -90.49 7.01 41.09 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.23 -0.919 . . . . 0.0 109.931 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 3' ' ' LEU . 45.3 t -89.79 -48.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 O-C-N 121.107 -0.995 . . . . 0.0 109.525 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.64 -21.71 65.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -0.949 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 2.5 tt0 -74.58 -48.09 28.73 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.327 -0.858 . . . . 0.0 109.904 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 12.5 pt-20 -67.36 -34.79 78.03 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.197 -0.94 . . . . 0.0 109.863 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' HG3' ' A' ' 10' ' ' GLU . 15.0 mt -79.62 -15.01 58.39 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.099 -1.0 . . . . 0.0 109.966 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -58.47 -17.52 21.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.159 -0.963 . . . . 0.0 109.577 -179.706 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.36 0.68 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.237 -0.914 . . . . 0.0 109.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.1 mm? -55.4 -43.92 75.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 109.679 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.79 -28.71 65.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.956 . . . . 0.0 109.504 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -59.72 -36.3 76.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 0.0 109.419 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.25 67.33 0.78 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . -116.59 25.61 8.99 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.5 m 72.8 81.36 0.14 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -1.161 . . . . 0.0 109.472 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER 43.83 55.75 4.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.305 -0.872 . . . . 0.0 109.476 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.07 10.42 6.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.834 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.1 m120 -88.23 20.47 3.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.071 -1.018 . . . . 0.0 109.524 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.18 -47.13 2.49 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.408 -0.807 . . . . 0.0 109.106 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' LEU . 13.8 mm-40 -72.54 -12.41 61.06 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.366 -0.834 . . . . 0.0 109.372 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -44.96 -25.92 0.36 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.271 -0.893 . . . . 0.0 109.502 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -62.74 1.51 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.74 68.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.247 -0.908 . . . . 0.0 109.563 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.43 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -59.28 -34.75 72.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.474 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE2' HD22 ' A' ' 32' ' ' LEU . 3.7 mm-40 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -54.82 40.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.346 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER -62.62 -19.66 64.0 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.296 -0.878 . . . . 0.0 109.42 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' OE2' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -61.14 -43.98 98.05 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.902 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.692 ' HE3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -54.69 -44.58 73.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.65 74.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.9 -42.24 97.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 0.0 109.311 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.692 HD12 ' HE3' ' A' ' 33' ' ' LYS . 67.5 mt -54.74 -56.27 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.228 -0.92 . . . . 0.0 109.393 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -51.32 -62.92 1.32 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.352 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mttp . . . . . 0 N--CA 1.487 1.42 0 O-C-N 121.253 -0.904 . . . . 0.0 109.481 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CZ2' ' HG ' ' A' ' 3' ' ' LEU . 24.9 p-90 -50.22 -37.5 35.75 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.198 -0.939 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.829 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -56.48 -41.99 77.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.903 -178.725 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -48.91 -34.65 13.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.106 -0.996 . . . . 0.0 108.837 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.36 -54.0 12.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.368 -0.833 . . . . 0.0 109.631 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.798 ' HD2' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -75.74 2.59 11.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.97 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 3' ' ' LEU . 37.8 t -90.63 -35.54 7.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.071 -1.018 . . . . 0.0 109.631 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.4 mt-10 -65.54 -48.08 73.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.246 -0.909 . . . . 0.0 109.497 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.92 86.78 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 109.713 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -45.92 90.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.567 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.69 HD23 ' HE3' ' A' ' 28' ' ' MET . 8.6 mt -57.36 -39.89 76.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -21.97 55.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.309 -0.87 . . . . 0.0 109.505 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -65.07 -29.25 70.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -32.66 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 0.0 109.504 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' HD21 ' A' ' 25' ' ' LEU . 5.7 tp10 -63.84 -49.12 74.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -8.86 29.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 0.0 109.588 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 9.0 mtp180 -104.63 33.85 3.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.183 -0.948 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.75 142.23 3.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p -114.15 7.8 16.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.332 -1.099 . . . . 0.0 109.429 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.35 56.93 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 109.281 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HD11 ' A' ' 25' ' ' LEU . 29.9 t -177.4 30.9 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.28 -0.887 . . . . 0.0 109.564 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 12.7 p30 -92.02 14.26 16.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.24 -26.75 9.01 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.685 -0.634 . . . . 0.0 109.444 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.18 12.15 12.33 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.267 -0.896 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.601 HD21 ' OE1' ' A' ' 15' ' ' GLU . 6.1 mp -63.92 -18.9 64.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.11 -0.993 . . . . 0.0 109.472 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.87 52.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.199 -0.938 . . . . 0.0 109.497 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.38 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.69 ' HE3' HD23 ' A' ' 11' ' ' LEU . 2.5 ptt? -67.83 -16.76 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.0 -41.8 95.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.322 -0.861 . . . . 0.0 109.844 -179.802 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.77 -65.88 0.62 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.168 -0.958 . . . . 0.0 109.759 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -53.66 -25.77 19.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.555 HD11 HG13 ' A' ' 7' ' ' VAL . 17.9 tp -53.24 -69.94 0.1 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.657 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.81 -12.78 11.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.919 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 -29.9 41.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.875 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 28.4 tt0 -89.1 -29.3 19.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.077 -1.014 . . . . 0.0 109.836 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 33' ' ' LYS . 1.7 pp -45.31 -32.17 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.15 -0.968 . . . . 0.0 109.59 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -61.92 -60.18 4.01 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 109.593 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.222 0.534 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.666 ' CE3' ' HD3' ' A' ' 6' ' ' ARG . 16.5 p-90 -50.45 -40.23 50.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.265 -0.897 . . . . 0.0 110.005 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 1.001 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -60.6 -37.68 82.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.184 -178.819 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.08 -33.44 3.47 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -44.62 71.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.666 ' HD3' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.44 8.85 31.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.16 -0.962 . . . . 0.0 110.086 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 3' ' ' LEU . 83.5 t -87.32 -32.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.077 -1.014 . . . . 0.0 109.602 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -59.97 3.13 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 109.212 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.481 ' HA ' ' HB2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -50.02 -27.41 5.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.254 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.79 -65.58 0.66 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.292 -0.88 . . . . 0.0 109.813 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -79.56 6.41 10.56 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.247 -0.908 . . . . 0.0 109.993 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.481 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -67.33 -45.69 75.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 0.0 109.538 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -16.99 63.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.875 . . . . 0.0 109.623 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.05 -59.85 2.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.753 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.91 -5.1 44.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -86.96 -11.29 50.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.11 -0.994 . . . . 0.0 109.622 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 18' ' ' GLY . 3.2 mtm180 -92.54 25.27 3.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . 42.83 94.85 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -147.97 64.43 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 0.0 109.334 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' THR . 13.9 t0 43.1 45.71 4.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.331 -0.856 . . . . 0.0 109.361 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -86.02 3.78 40.79 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 109.611 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.7 t-20 -90.91 21.42 4.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.95 -43.55 1.07 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.373 -0.829 . . . . 0.0 109.693 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.5 18.88 2.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.252 -0.905 . . . . 0.0 109.894 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.4 mt -66.17 -31.59 72.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.054 -1.029 . . . . 0.0 109.53 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -79.35 -34.25 42.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 109.658 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.76 -25.94 56.94 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.24 -0.912 . . . . 0.0 109.883 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 11' ' ' LEU . 35.1 ttp -65.36 -29.78 70.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.228 -0.92 . . . . 0.0 109.788 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.69 -46.22 89.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.201 -0.937 . . . . 0.0 109.773 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -50.34 66.03 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -64.78 -12.88 52.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.889 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.783 HD11 HG11 ' A' ' 7' ' ' VAL . 65.3 tp -62.5 -45.82 91.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.6 tttp -76.02 2.71 12.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.311 -0.868 . . . . 0.0 110.056 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 -48.26 7.85 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.072 -1.017 . . . . 0.0 109.911 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -74.47 -22.94 58.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.861 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.521 HG23 ' N ' ' A' ' 37' ' ' GLN . 7.9 tt -66.82 -42.21 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.521 ' N ' HG23 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -49.13 -50.93 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.519 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 0.0 109.58 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 121.146 0.498 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.953 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 30.7 p-90 -54.51 -33.86 60.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.953 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.74 -36.4 72.02 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.177 -0.952 . . . . 0.0 109.689 -179.085 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -38.82 14.91 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.88 69.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.589 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -52.04 -35.74 48.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.174 179.191 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.2 t -80.14 -32.59 13.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.36 -60.73 2.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.903 . . . . 0.0 109.856 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -51.05 -33.02 23.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -0.902 . . . . 0.0 109.886 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.57 -56.84 10.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 0.0 109.938 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 HD22 ' A' ' 25' ' ' LEU . 82.1 mt -57.28 -21.9 37.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.961 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.6 -52.12 65.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.112 -0.993 . . . . 0.0 109.847 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.09 -28.34 57.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 109.93 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.58 99.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.199 -0.938 . . . . 0.0 109.75 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 5.1 pt-20 -78.9 -19.22 52.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.125 -0.984 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -48.37 -57.64 5.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.188 -0.945 . . . . 0.0 109.501 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -139.62 65.52 1.43 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.551 ' C ' HG22 ' A' ' 19' ' ' THR . . . -83.13 -116.74 0.57 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.551 HG22 ' C ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 170.15 89.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -1.133 . . . . 0.0 109.442 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER 62.65 63.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.305 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 m -177.67 41.86 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.243 -0.91 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -100.84 15.1 29.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.58 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.01 -39.9 2.67 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.647 -0.658 . . . . 0.0 109.475 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.18 -17.63 42.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 109.523 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.56 HD22 HD22 ' A' ' 11' ' ' LEU . 48.0 mt -53.96 -27.44 31.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.744 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -75.42 -40.9 57.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 109.492 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.83 -21.65 64.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.275 -0.891 . . . . 0.0 109.807 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -27.51 69.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.154 -0.966 . . . . 0.0 109.718 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 1.4 tt0 -54.04 -43.36 70.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -0.935 . . . . 0.0 109.764 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.17 76.09 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.936 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -15.59 58.07 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.183 -0.948 . . . . 0.0 110.178 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 HG11 ' A' ' 7' ' ' VAL . 26.1 tp -51.67 -38.93 57.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.094 -1.004 . . . . 0.0 109.589 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -64.52 -49.55 70.88 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 109.757 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.65 23.23 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.929 . . . . 0.0 109.752 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -82.28 -33.92 28.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.0 109.428 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.79 -28.73 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.654 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -52.94 -53.5 48.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.433 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mttp . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.43 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.793 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.1 p-90 -46.86 -35.14 6.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.173 -0.955 . . . . 0.0 109.717 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -55.81 -46.37 78.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE2' HD13 ' A' ' 36' ' ' ILE . 40.4 mttm -47.62 -33.99 7.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.035 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.12 -38.57 35.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.332 -0.855 . . . . 0.0 109.488 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.9 8.08 34.03 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.251 -0.906 . . . . 0.0 109.864 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.913 HG11 HD11 ' A' ' 32' ' ' LEU . 43.4 t -90.39 -72.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.115 -0.991 . . . . 0.0 109.291 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -48.49 -23.61 1.02 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.148 -0.97 . . . . 0.0 109.236 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 79.8 mt-30 -67.78 -54.22 20.91 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.269 -0.895 . . . . 0.0 109.75 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.2 pt-20 -62.32 -41.02 98.19 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.967 . . . . 0.0 109.667 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 13.1 mt -70.11 -18.6 63.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.267 -0.896 . . . . 0.0 109.811 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -59.22 -22.85 61.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.183 -0.948 . . . . 0.0 109.75 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.98 -62.08 1.69 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -15.44 63.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 109.243 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 2.1 mm-40 -74.21 -20.62 60.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.364 -0.835 . . . . 0.0 109.176 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.45 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.534 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.5 27.59 1.47 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.65 -136.19 24.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.806 -1.318 . . . . 0.0 109.806 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.2 p -108.5 61.36 0.61 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.599 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -149.0 68.43 1.05 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.216 -0.928 . . . . 0.0 109.54 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 167.36 38.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.279 -0.888 . . . . 0.0 109.605 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.517 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.1 t30 -93.1 20.51 6.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.381 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.46 -42.38 1.97 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.405 -0.81 . . . . 0.0 109.463 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.21 -22.68 52.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 3.6 mt -50.86 -34.92 30.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 0.0 109.643 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 10.3 mmp_? -75.22 -43.13 53.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.623 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.51 -7.74 34.99 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.244 -0.91 . . . . 0.0 109.755 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 tpt -74.51 -47.0 35.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 2.6 pt-20 -47.72 -24.1 0.86 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.22 -0.925 . . . . 0.0 109.561 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -69.31 0.28 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.268 -0.895 . . . . 0.0 109.673 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -64.73 -13.15 53.68 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.413 -0.804 . . . . 0.0 109.836 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.913 HD11 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -57.31 -50.45 72.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.703 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -14.95 59.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.133 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.52 37.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.58 -34.74 35.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.146 -0.971 . . . . 0.0 109.852 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 32' ' ' LEU . 63.1 mt -55.67 -20.74 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.659 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.1 -34.02 3.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.916 . . . . 0.0 109.597 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 O-C-N 121.249 -0.907 . . . . 0.0 109.485 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.671 ' NE1' HD12 ' A' ' 3' ' ' LEU . 24.9 p-90 -47.07 -36.0 7.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 0.0 110.026 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 1.009 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -57.1 -46.51 82.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -49.74 -29.65 8.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -38.66 24.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.585 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -88.67 4.32 47.62 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.167 -0.958 . . . . 0.0 109.938 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 3' ' ' LEU . 83.2 t -90.2 -42.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.06 -1.025 . . . . 0.0 109.474 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -60.06 -55.16 37.36 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.242 -0.911 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.54 -34.94 69.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -0.872 . . . . 0.0 109.263 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.26 -57.52 12.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.297 -0.877 . . . . 0.0 109.38 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD21 ' HE2' ' A' ' 28' ' ' MET . 1.8 mt -65.92 -10.9 43.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.307 -0.87 . . . . 0.0 109.478 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.95 -32.76 74.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.622 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.83 94.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.199 -0.938 . . . . 0.0 109.762 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -24.29 65.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.734 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.66 3.97 32.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.143 -0.973 . . . . 0.0 109.623 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.83 31.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.0 109.677 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.91 26.63 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.92 . . . . 0.0 109.503 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . 56.98 -115.05 5.98 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.3 m 76.63 51.13 0.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.285 -1.126 . . . . 0.0 109.361 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 48.79 49.8 18.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 p -114.68 -1.78 13.21 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' ' 25' ' ' LEU . 8.9 p30 -89.76 16.09 8.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.217 -0.927 . . . . 0.0 109.595 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.08 -45.16 2.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.633 -0.667 . . . . 0.0 109.419 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -78.88 -6.15 55.4 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -53.49 -31.41 45.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.906 . . . . 0.0 109.549 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -72.44 -46.71 53.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.166 -0.959 . . . . 0.0 109.394 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -15.32 63.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.405 -0.809 . . . . 0.0 109.653 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.657 ' HE2' HD21 ' A' ' 11' ' ' LEU . 9.1 tpt -69.11 -36.51 77.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 109.5 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 30' ' ' ALA . 16.6 pt-20 -49.47 -43.19 44.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.105 -0.997 . . . . 0.0 109.178 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 29' ' ' GLU . . . -64.19 -48.95 73.93 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.248 -0.908 . . . . 0.0 109.395 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -56.23 -25.75 48.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.304 -0.872 . . . . 0.0 109.667 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.99 -64.45 0.9 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.342 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -42.36 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.31 -0.869 . . . . 0.0 109.539 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.65 20.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.277 -0.89 . . . . 0.0 109.463 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 tt0 -77.38 -61.21 2.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.89 . . . . 0.0 109.398 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 36' ' ' ILE . 6.3 mm -44.31 -32.66 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.224 -0.922 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.07 -72.07 0.07 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.896 . . . . 0.0 109.336 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 109.483 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 26.4 p-90 -58.43 -37.12 74.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.214 -0.929 . . . . 0.0 109.418 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -56.55 -26.87 56.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.635 -0.665 . . . . 0.0 110.313 -178.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -64.02 -35.47 80.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.921 -1.112 . . . . 0.0 108.91 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -78.3 -49.0 14.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.365 -0.834 . . . . 0.0 109.174 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -71.3 -9.83 58.76 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 110.004 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 3' ' ' LEU . 12.8 t -90.73 -57.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.34 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 5' ' ' ALA . 22.7 pt-20 -46.59 -42.5 16.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.566 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 8' ' ' GLU . 2.0 tp60 -62.84 -49.33 75.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.309 -0.869 . . . . 0.0 109.773 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -36.64 64.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.886 . . . . 0.0 109.886 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 28' ' ' MET . 27.7 mt -73.17 -33.82 65.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.091 -1.006 . . . . 0.0 110.043 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.98 71.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.952 . . . . 0.0 109.962 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 -56.81 15.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 109.889 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.3 -11.94 60.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' A' ' 25' ' ' LEU . 3.9 mm-40 -94.7 -12.29 27.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.438 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.36 -46.87 73.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 0.0 109.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -156.77 65.77 0.53 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . -90.42 40.92 2.97 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 71.7 p 47.64 75.66 0.13 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -1.153 . . . . 0.0 109.603 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' THR . 2.9 t70 75.91 52.84 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.31 20.49 8.13 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.23 -0.919 . . . . 0.0 109.654 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -91.87 24.85 3.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.929 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.75 -45.66 1.75 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.408 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -59.81 -15.38 20.31 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.285 -0.884 . . . . 0.0 109.407 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 22.6 mt -44.73 -30.37 0.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.0 109.542 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HG2' ' NH1' ' A' ' 26' ' ' ARG . 7.6 mmp_? -70.32 -48.48 56.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -13.59 15.0 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.769 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.473 ' CG ' HD13 ' A' ' 11' ' ' LEU . 15.6 ttp -63.07 -40.76 98.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 0.0 109.78 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -47.74 79.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.246 -0.909 . . . . 0.0 109.807 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.34 84.49 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.241 -0.912 . . . . 0.0 110.013 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -63.58 -33.21 75.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.2 -0.937 . . . . 0.0 110.014 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -54.18 -59.67 4.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 109.642 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -59.55 -20.09 53.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.719 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.36 -32.98 74.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.165 -0.959 . . . . 0.0 109.736 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.43 -63.26 1.32 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.757 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.4 pt -49.12 -34.75 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.21 -0.931 . . . . 0.0 109.645 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.0 mm-40 -45.41 -63.6 0.91 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.0 109.372 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 O-C-N 121.226 -0.921 . . . . 0.0 109.472 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.227 0.537 . . . . 0.0 109.657 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.917 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 28.4 p-90 -54.16 -33.23 57.47 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 110.134 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.917 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -56.42 -37.1 69.73 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.194 -0.941 . . . . 0.0 109.775 -179.144 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.42 -40.15 11.69 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.14 -40.26 74.91 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -52.29 -34.46 46.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 0.0 109.197 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.3 t -82.95 -31.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 121.537 -0.727 . . . . 0.0 110.081 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.55 -60.77 2.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.734 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 1.1 mt-30 -49.86 -36.19 26.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.938 . . . . 0.0 109.695 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.19 -58.48 8.47 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.691 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.5 mt -65.34 -14.93 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.188 -0.945 . . . . 0.0 109.949 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -58.86 -46.7 87.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.067 -1.02 . . . . 0.0 109.292 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.15 65.83 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.2 -0.937 . . . . 0.0 109.328 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 14' ' ' LEU . 2.3 tp -62.19 -36.96 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.408 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -91.87 0.15 57.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 0.0 109.483 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 -19.97 60.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER 176.0 77.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.297 -0.877 . . . . 0.0 109.442 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' THR . . . -121.79 -84.22 0.73 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 179.5 93.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.176 -1.19 . . . . 0.0 109.643 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.51 55.43 6.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t -96.29 0.5 50.94 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.089 -1.007 . . . . 0.0 109.616 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 18.9 t30 -93.9 21.4 6.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.926 . . . . 0.0 109.477 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.9 -42.33 2.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.109 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.6 mt-10 -75.43 -0.48 20.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 109.605 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' CE ' ' A' ' 28' ' ' MET . 8.5 mt -43.08 -29.83 0.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 0.0 109.962 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -68.55 -60.87 2.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.132 -0.98 . . . . 0.0 109.416 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.64 -8.46 20.57 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.22 -0.925 . . . . 0.0 109.698 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.627 ' CE ' HD23 ' A' ' 25' ' ' LEU . 9.7 ttp -75.42 -44.86 42.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.143 -0.973 . . . . 0.0 109.566 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 13.1 pt-20 -53.53 -36.84 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 109.098 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.95 61.84 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.301 -0.874 . . . . 0.0 109.262 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -60.49 -21.06 61.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.333 -0.854 . . . . 0.0 109.429 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -62.35 -57.02 12.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.719 ' HA ' HD11 ' A' ' 36' ' ' ILE . 16.8 mttm -62.61 -28.68 70.06 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.675 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 37' ' ' GLN . . . -63.71 -46.67 84.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.97 . . . . 0.0 109.497 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -60.02 3.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -0.911 . . . . 0.0 109.523 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -55.66 -23.46 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.548 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -43.65 -40.52 4.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 0.0 109.615 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 0.0 109.439 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.209 0.528 . . . . 0.0 109.787 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.656 ' CE2' HD12 ' A' ' 3' ' ' LEU . 26.9 p-90 -59.65 -38.47 81.5 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.22 -0.925 . . . . 0.0 110.028 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.656 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -57.57 -21.85 41.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.795 . . . . 0.0 110.172 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.3 OUTLIER -69.08 -35.17 76.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.015 . . . . 0.0 108.884 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.1 -28.38 25.63 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.418 -0.801 . . . . 0.0 109.737 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.16 -10.31 44.97 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.088 -1.008 . . . . 0.0 110.198 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' HD12 ' A' ' 11' ' ' LEU . 9.7 p -90.54 -33.65 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.001 -1.062 . . . . 0.0 109.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -39.22 81.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 109.685 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -46.76 81.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.206 -0.934 . . . . 0.0 109.655 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -45.5 80.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.137 -0.977 . . . . 0.0 109.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 7' ' ' VAL . 6.8 mt -68.23 -9.58 48.21 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.749 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -73.71 -54.68 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.722 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.07 -19.9 61.96 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.3 -0.875 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.92 -44.92 37.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.632 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.42 -15.38 56.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 109.575 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.75 -46.94 23.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.2 -0.938 . . . . 0.0 109.486 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.05 51.04 0.86 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.68 179.14 21.89 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -121.69 19.02 11.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -1.131 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -165.04 51.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.2 m -68.93 -169.75 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 0.0 109.751 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.448 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.1 t30 54.8 19.35 2.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.437 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.85 -43.57 0.58 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.485 -0.759 . . . . 0.0 109.562 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 28' ' ' MET . 60.3 mm-40 -85.61 23.59 1.36 Allowed 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.227 -0.921 . . . . 0.0 110.067 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 22' ' ' ASN . 21.6 mt -78.98 -66.35 0.88 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.08 -1.013 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 8.0 mmp_? -60.53 -37.95 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 0.0 109.405 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.52 73.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.535 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 5.0 tmm? -65.67 -24.18 66.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.0 109.569 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.11 -50.2 69.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 -179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -58.9 4.79 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.827 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -20.14 13.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 24.1 tp -65.83 -48.89 70.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.918 . . . . 0.0 109.788 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -22.62 58.08 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.274 -0.891 . . . . 0.0 110.046 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.09 -28.88 39.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.107 -0.996 . . . . 0.0 110.002 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.95 -42.4 12.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.01 . . . . 0.0 109.678 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -55.85 -32.21 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.681 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.8 -38.13 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tttp . . . . . 0 N--CA 1.488 1.442 0 O-C-N 121.269 -0.894 . . . . 0.0 109.49 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.742 ' CE2' HD22 ' A' ' 3' ' ' LEU . 39.3 p-90 -55.25 -24.36 27.5 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.024 -1.047 . . . . 0.0 109.709 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.5 mm? -49.49 -40.92 39.19 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.277 -0.89 . . . . 0.0 109.069 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -43.79 64.04 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.515 -0.741 . . . . 0.0 109.543 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.52 -45.33 65.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.556 ' CG ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -76.02 -2.33 30.1 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.091 -1.006 . . . . 0.0 109.984 -179.53 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 3' ' ' LEU . 45.4 t -90.2 -54.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.172 -0.955 . . . . 0.0 109.305 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.09 -33.14 74.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.0 109.172 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -29.95 70.4 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.318 -0.864 . . . . 0.0 109.459 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -59.25 2.84 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.321 -0.862 . . . . 0.0 109.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.682 HD22 ' SD ' ' A' ' 28' ' ' MET . 1.2 mt -59.01 -25.54 63.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.227 -0.92 . . . . 0.0 109.775 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -74.45 -28.21 60.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 0.0 109.78 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.81 -13.0 61.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.186 -0.946 . . . . 0.0 109.722 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 14' ' ' LEU . 12.6 mt -90.0 -36.69 14.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 0.0 109.689 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.81 -10.6 55.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.256 -0.902 . . . . 0.0 109.749 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.44 -4.88 28.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -144.89 62.11 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.216 -0.928 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.88 147.48 10.5 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.7 p -120.42 23.32 10.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.312 -1.11 . . . . 0.0 109.5 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -142.47 63.62 1.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.893 . . . . 0.0 109.406 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -171.86 27.98 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -96.71 18.13 15.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.196 -0.94 . . . . 0.0 109.137 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.03 -33.52 4.14 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -86.72 25.54 1.25 Allowed 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.283 -0.886 . . . . 0.0 109.855 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -81.03 -18.98 44.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.642 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -75.87 -38.61 57.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.0 109.563 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -21.4 66.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.905 . . . . 0.0 109.757 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.682 ' SD ' HD22 ' A' ' 11' ' ' LEU . 48.0 ttp -74.23 -21.24 59.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -59.36 -54.83 42.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 109.515 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.08 71.7 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.237 -0.915 . . . . 0.0 109.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -16.04 30.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.247 -0.908 . . . . 0.0 109.907 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -65.56 0.57 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.178 -0.951 . . . . 0.0 109.473 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 36' ' ' ILE . 63.2 mttt -64.41 -30.6 71.64 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.234 -0.916 . . . . 0.0 109.753 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.578 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.94 34.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.14 -0.975 . . . . 0.0 109.509 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 33' ' ' LYS . 73.0 mt -47.2 -34.23 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.916 . . . . 0.0 109.443 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.14 -69.96 0.39 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.851 . . . . 0.0 109.535 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mttm . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.566 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.819 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.8 p-90 -54.59 -33.32 60.15 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.337 -0.852 . . . . 0.0 109.876 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.819 HD12 ' NE1' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -54.82 -34.9 63.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.469 -0.769 . . . . 0.0 110.331 -178.679 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -35.75 69.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 109.47 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.3 -41.45 28.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 109.634 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 2.8 ppt_? -80.96 -2.89 49.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 110.035 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 3' ' ' LEU . 37.6 t -91.28 -41.06 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.152 -0.967 . . . . 0.0 109.621 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -62.33 -61.23 2.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.302 -0.874 . . . . 0.0 109.663 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 11.0 pt20 -48.74 -26.09 2.17 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.566 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 6.8 mm-40 -68.81 -64.03 0.95 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.185 -0.947 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.866 HD21 ' HG2' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.39 -12.16 40.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -82.9 -47.56 11.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.056 -1.027 . . . . 0.0 109.733 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.79 66.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.206 -0.933 . . . . 0.0 109.729 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.69 -65.54 0.68 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 109.485 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 pt-20 -63.29 -12.28 28.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.3 -25.3 22.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.86 53.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.23 -37.42 0.46 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 p 48.52 22.99 0.54 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.199 -1.177 . . . . 0.0 109.502 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 21' ' ' SER . 1.6 t70 -143.06 48.11 1.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.167 -0.958 . . . . 0.0 109.456 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 174.64 34.2 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.393 -0.817 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.537 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.4 t30 -90.19 18.2 6.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -0.878 . . . . 0.0 109.234 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.21 -38.87 2.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.575 -0.703 . . . . 0.0 109.54 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.88 -5.83 18.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.316 -0.865 . . . . 0.0 110.004 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mt -60.97 -47.23 87.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 109.682 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -38.72 91.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 0.0 109.626 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -8.59 53.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.232 -0.917 . . . . 0.0 109.628 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.866 ' HG2' HD21 ' A' ' 11' ' ' LEU . 11.6 tpt -71.7 -33.28 68.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.928 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.3 -35.0 59.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.604 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -58.21 9.29 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.265 -0.897 . . . . 0.0 109.808 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -22.43 61.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.652 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.89 -70.42 0.15 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.289 -0.882 . . . . 0.0 109.787 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -13.97 13.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.902 . . . . 0.0 109.886 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.92 70.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.761 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -86.03 -52.32 5.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.805 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.88 -21.37 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.179 -0.951 . . . . 0.0 109.697 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -55.43 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.129 -0.982 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.374 0 O-C-N 121.321 -0.862 . . . . 0.0 109.582 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.604 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 58.7 p-90 -57.65 -32.24 67.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.557 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 6' ' ' ARG . 5.1 tp -59.17 -32.97 70.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.7 -0.625 . . . . 0.0 109.462 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -36.21 58.08 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.88 -37.36 81.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.954 ' HB2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -49.59 -41.61 42.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 108.845 179.407 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 36' ' ' ILE . 46.8 t -75.23 -36.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.506 -0.746 . . . . 0.0 110.063 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -60.0 4.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 2.4 pt20 -55.51 -23.61 27.22 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.35 -0.844 . . . . 0.0 109.377 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 3.8 tt0 -69.19 -60.88 2.05 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.258 -0.901 . . . . 0.0 109.681 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -79.57 4.97 14.26 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.233 -0.917 . . . . 0.0 109.893 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -66.86 -64.25 0.89 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.9 -16.02 59.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.255 -0.903 . . . . 0.0 109.81 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.77 HD12 ' HE1' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.64 -40.02 88.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.0 109.583 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.609 ' HG3' HD11 ' A' ' 25' ' ' LEU . 3.4 tt0 -91.73 -42.49 10.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.84 75.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.432 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.01 67.46 1.47 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.876 . . . . 0.0 109.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' THR . . . -97.82 18.54 57.07 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 18' ' ' GLY . 2.3 t 39.64 74.04 0.1 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.549 -0.971 . . . . 0.0 109.865 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER 75.63 54.23 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.343 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' HD12 ' A' ' 25' ' ' LEU . 21.9 m -120.9 21.2 11.47 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.288 -0.882 . . . . 0.0 109.695 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.72 ' HA ' HD12 ' A' ' 25' ' ' LEU . 19.9 p30 -87.31 13.35 9.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.728 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.19 -45.69 2.1 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.625 -0.672 . . . . 0.0 109.369 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -76.73 1.4 17.27 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -56.04 -20.59 17.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 109.676 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -50.89 52.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.9 . . . . 0.0 109.499 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -26.35 22.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -0.896 . . . . 0.0 109.732 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.77 ' HE1' HD12 ' A' ' 14' ' ' LEU . 1.1 tpp -66.03 -41.34 91.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -38.34 64.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 109.767 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.09 3.58 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.202 -0.936 . . . . 0.0 110.021 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -68.66 -5.02 17.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.219 -0.926 . . . . 0.0 110.192 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.84 -73.32 0.25 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.026 -1.046 . . . . 0.0 110.047 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HA ' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.69 -8.6 28.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 110.006 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.4 -44.37 12.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.18 -28.62 34.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.949 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 33' ' ' LYS . 16.4 tt -76.96 -34.66 22.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.248 -0.908 . . . . 0.0 109.665 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 18.4 tt0 -49.37 -33.78 14.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.316 -0.865 . . . . 0.0 109.446 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.417 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.743 ' NE1' HD12 ' A' ' 3' ' ' LEU . 32.9 p-90 -59.13 -34.51 72.14 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.297 -0.877 . . . . 0.0 109.966 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -53.17 -24.66 11.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.508 -0.745 . . . . 0.0 110.485 -178.596 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -39.22 83.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.949 -1.095 . . . . 0.0 109.131 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.98 36.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.36 -0.837 . . . . 0.0 109.598 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.67 -18.77 46.94 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.0 109.446 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 3' ' ' LEU . 54.8 t -82.03 -36.4 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 121.086 -1.009 . . . . 0.0 109.202 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 11' ' ' LEU . 3.7 tp10 -59.02 -24.86 63.19 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.275 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -65.51 -63.0 1.2 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.316 -0.865 . . . . 0.0 109.733 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.5 mm-40 -51.78 -43.12 62.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.94 . . . . 0.0 109.589 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 8' ' ' GLU . 10.5 mt -54.81 -51.26 66.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.701 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.87 -22.05 66.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.196 -0.94 . . . . 0.0 109.528 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -72.29 -31.89 66.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.235 -0.915 . . . . 0.0 109.754 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -46.29 20.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.194 -0.941 . . . . 0.0 109.756 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -67.28 -26.61 66.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.935 . . . . 0.0 109.506 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.6 -10.64 57.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.225 -0.922 . . . . 0.0 109.616 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -145.38 58.54 1.27 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.123 -0.986 . . . . 0.0 109.601 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.77 131.96 3.83 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.9 p -112.48 8.37 19.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -1.149 . . . . 0.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.77 65.59 0.53 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.405 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.61 32.28 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.525 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-20 -94.1 21.69 6.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.216 -0.927 . . . . 0.0 109.198 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.13 -43.03 1.97 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.441 -0.787 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -25.92 42.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.251 -0.906 . . . . 0.0 109.364 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.3 mt -50.54 -41.2 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.255 -0.903 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.418 ' NH2' ' HB2' ' A' ' 25' ' ' LEU . 2.2 mmp_? -51.18 -51.09 57.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.23 -0.919 . . . . 0.0 109.159 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.6 71.54 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.269 -0.895 . . . . 0.0 109.436 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 tpp -61.98 -27.39 68.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -52.87 -50.58 63.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.188 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.52 93.28 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.24 -0.912 . . . . 0.0 109.349 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -26.22 60.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.36 -0.837 . . . . 0.0 109.595 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -61.11 -47.76 84.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.154 -0.966 . . . . 0.0 109.635 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.574 ' HA ' HD11 ' A' ' 36' ' ' ILE . 20.0 ttpt -61.3 -26.65 67.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.826 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.2 69.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.198 -0.939 . . . . 0.0 109.819 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -64.62 1.11 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.089 -1.007 . . . . 0.0 109.883 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.3 pt -46.88 -23.9 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 109.906 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -50.56 14.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.136 -0.978 . . . . 0.0 109.569 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 121.098 0.475 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.678 ' CE2' HD22 ' A' ' 3' ' ' LEU . 37.1 p-90 -52.5 -23.29 5.97 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 109.874 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.961 ' O ' HG23 ' A' ' 7' ' ' VAL . 3.6 mm? -55.56 -46.7 77.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.913 . . . . 0.0 109.111 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -36.99 6.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.442 -0.787 . . . . 0.0 109.642 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.66 -40.89 55.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.943 . . . . 0.0 109.451 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.582 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.54 7.72 28.26 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.308 -0.87 . . . . 0.0 109.949 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 3' ' ' LEU . 54.4 t -89.33 -58.45 3.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.077 -1.014 . . . . 0.0 109.889 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -50.07 63.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.178 -0.951 . . . . 0.0 109.513 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -58.66 -29.11 66.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.0 109.819 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -56.29 7.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 110.141 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 14' ' ' LEU . 1.1 mt -85.82 19.91 2.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.108 -0.995 . . . . 0.0 110.257 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.499 ' HG3' ' N ' ' A' ' 13' ' ' ALA . 9.8 pt20 -75.88 -42.15 50.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.927 -1.108 . . . . 0.0 109.497 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' N ' ' HG3' ' A' ' 12' ' ' GLN . . . -78.76 -10.44 59.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.199 -0.938 . . . . 0.0 109.437 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -72.09 -45.68 59.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.903 . . . . 0.0 109.437 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 0.8 OUTLIER -73.36 -22.11 60.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.527 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -68.63 -30.7 69.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.24 -0.913 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.76 57.89 1.03 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.215 -0.928 . . . . 0.0 109.599 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.56 125.13 4.28 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -91.71 15.65 12.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -1.135 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -144.98 81.82 1.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.36 -0.837 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.14 -148.86 0.27 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 8.6 t-20 60.03 16.13 5.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.905 . . . . 0.0 109.419 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.02 -50.94 0.26 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.495 -0.753 . . . . 0.0 109.546 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.59 -4.78 55.39 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.385 -0.822 . . . . 0.0 109.873 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -45.58 -34.59 3.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 7.1 mmp_? -74.38 -46.14 42.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.516 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.17 20.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.16 -0.963 . . . . 0.0 109.599 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.84 -40.16 96.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 109.542 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.53 -38.46 81.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.174 -0.954 . . . . 0.0 109.537 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.45 2.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.267 -0.896 . . . . 0.0 109.806 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.8 mtmt -62.89 -18.41 62.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.918 . . . . 0.0 109.873 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.1 tt -51.15 -67.22 0.27 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.89 -18.35 8.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.603 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -73.71 -39.02 64.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -72.41 -52.4 16.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.1 pt -57.25 -33.13 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.174 -0.954 . . . . 0.0 109.616 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 27.9 tt0 -57.65 -56.55 20.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -0.901 . . . . 0.0 109.213 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm . . . . . 0 N--CA 1.487 1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.266 0.555 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CE2' HD12 ' A' ' 3' ' ' LEU . 29.1 p-90 -63.56 -33.3 75.29 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.226 -0.921 . . . . 0.0 110.186 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -59.28 -17.51 29.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.291 -0.88 . . . . 0.0 110.428 -178.736 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -74.95 -31.81 61.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.962 -1.087 . . . . 0.0 108.973 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.2 -29.14 20.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.461 -0.774 . . . . 0.0 109.486 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.71 -17.62 31.34 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.247 -0.908 . . . . 0.0 109.831 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 3' ' ' LEU . 9.8 p -85.6 -26.13 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 O-C-N 121.228 -0.92 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -68.48 -49.7 57.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.446 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -44.69 78.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.265 -0.897 . . . . 0.0 109.711 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.5 -48.32 82.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.799 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 11' ' ' LEU . 70.7 mt -63.15 -13.49 37.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -0.873 . . . . 0.0 109.83 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.03 -18.8 65.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.987 . . . . 0.0 109.872 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -18.44 59.82 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.179 -0.95 . . . . 0.0 109.375 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -75.09 0.18 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.34 -0.85 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.21 -22.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -63.57 1.08 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.65 44.81 0.99 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.71 117.22 1.0 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -106.1 15.53 26.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -1.133 . . . . 0.0 109.483 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' SER . 32.2 t0 -116.02 62.38 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 40.3 t 177.34 37.09 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.583 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -91.1 16.25 10.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.48 -39.77 2.74 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.663 -0.648 . . . . 0.0 109.481 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.56 10.47 8.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.339 -0.85 . . . . 0.0 109.537 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.87 -32.12 60.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 109.493 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -43.6 40.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.882 . . . . 0.0 109.336 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.38 -12.74 60.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.23 -0.919 . . . . 0.0 109.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -31.49 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 109.401 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt-10 -59.74 -34.03 72.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.221 -0.924 . . . . 0.0 109.25 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.63 76.23 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.57 -20.42 64.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.312 -0.868 . . . . 0.0 109.665 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -56.22 -40.71 74.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.191 -0.943 . . . . 0.0 109.739 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.91 -31.21 64.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.725 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.12 74.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.935 . . . . 0.0 109.584 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -62.92 1.35 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 109.551 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.8 mp -50.6 -26.2 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.15 -0.969 . . . . 0.0 109.495 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ILE . 32.5 tt0 -45.08 -58.65 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -0.965 . . . . 0.0 109.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 3.7 tptp . . . . . 0 N--CA 1.487 1.396 0 O-C-N 121.326 -0.859 . . . . 0.0 109.534 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.792 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.5 p-90 -50.75 -35.18 30.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.301 -0.875 . . . . 0.0 109.687 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.976 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -54.19 -42.58 69.89 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.485 -0.759 . . . . 0.0 109.696 -178.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -45.95 -38.73 7.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.95 33.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 109.654 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.04 4.74 11.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.134 -0.979 . . . . 0.0 110.04 -179.605 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 3' ' ' LEU . 52.7 t -86.95 -68.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.112 -0.992 . . . . 0.0 109.656 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' VAL . 5.4 tp10 -45.32 -41.16 8.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.181 -0.949 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.02 -47.86 81.25 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.302 -0.874 . . . . 0.0 109.466 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -48.25 68.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.612 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 14' ' ' LEU . 28.0 mt -57.13 -37.23 71.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.22 -0.925 . . . . 0.0 109.589 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -56.87 -37.84 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.78 63.05 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.276 -0.89 . . . . 0.0 109.694 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.52 HD12 HD23 ' A' ' 11' ' ' LEU . 97.2 mt -68.03 -34.19 76.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.669 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 -7.14 43.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.16 -0.963 . . . . 0.0 109.544 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.26 62.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.527 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.49 54.03 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.497 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.57 173.31 23.73 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.53 19.55 16.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -1.189 . . . . 0.0 109.387 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.27 51.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -79.33 -170.11 2.16 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.325 -0.86 . . . . 0.0 109.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.563 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 2.5 m120 57.57 17.17 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.18 -45.65 0.42 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.444 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' MET . 1.6 mm-40 -83.45 14.35 3.76 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.349 -0.844 . . . . 0.0 110.009 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.2 mt -71.33 -72.99 0.19 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.011 -1.056 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -39.62 83.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.339 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.62 88.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 109.534 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 2.0 ttp -70.6 -16.29 62.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.35 -35.9 82.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.539 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.32 70.93 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.191 -0.943 . . . . 0.0 109.784 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -84.0 -15.81 46.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.243 -0.911 . . . . 0.0 109.841 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.46 -66.43 0.39 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.744 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -64.63 -9.07 16.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.23 -25.58 42.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.405 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.85 -40.26 12.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.529 HG13 ' N ' ' A' ' 37' ' ' GLN . 43.2 pt -47.74 -34.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.514 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.529 ' N ' HG13 ' A' ' 36' ' ' ILE . 7.5 tt0 -51.13 -69.85 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.266 -0.897 . . . . 0.0 109.219 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm . . . . . 0 C--N 1.305 -1.36 0 O-C-N 121.32 -0.863 . . . . 0.0 109.54 179.906 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.1 t70 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 24.0 p-90 -57.47 -42.11 81.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.264 -0.897 . . . . 0.0 110.131 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -50.61 -27.39 6.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.37 -0.831 . . . . 0.0 109.894 -179.022 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -44.26 96.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.101 -0.999 . . . . 0.0 108.978 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.67 -32.06 60.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.473 -0.767 . . . . 0.0 109.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -86.82 -5.62 59.05 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.056 -1.028 . . . . 0.0 110.061 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 3' ' ' LEU . 10.9 t -89.68 -35.65 7.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.105 -0.997 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.32 -54.61 22.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.618 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 12.3 pt20 -62.85 -14.87 51.28 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.216 -0.927 . . . . 0.0 109.823 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 3.8 tm-20 -82.38 -51.0 8.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.193 -0.942 . . . . 0.0 109.757 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.23 -25.93 67.13 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.256 -0.902 . . . . 0.0 109.895 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -52.7 -20.27 3.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.143 -0.973 . . . . 0.0 109.503 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.56 67.98 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HG ' ' N ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -73.96 -21.39 60.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.506 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.2 tm-20 -92.49 -3.97 54.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 109.525 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.57 -18.89 39.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -173.71 81.42 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.6 -172.04 13.92 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.41 -104.52 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.234 -1.157 . . . . 0.0 109.409 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.36 53.31 2.44 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.176 -0.952 . . . . 0.0 109.435 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -86.0 19.04 2.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.24 -0.912 . . . . 0.0 109.946 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.572 ' HA ' HD12 ' A' ' 25' ' ' LEU . 6.6 m120 -90.89 22.9 3.39 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.096 -1.002 . . . . 0.0 109.339 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.0 -47.56 1.64 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 109.515 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LEU . 11.8 mm-40 -62.46 -12.29 21.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.238 -0.914 . . . . 0.0 109.572 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -43.38 -38.09 2.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -70.48 -46.71 63.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.168 -0.957 . . . . 0.0 109.258 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -5.94 32.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.293 -0.88 . . . . 0.0 109.415 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 26.0 ttp -74.18 -43.21 58.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.392 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.77 -35.53 77.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.918 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.08 -56.07 15.15 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.248 -0.908 . . . . 0.0 109.693 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 25.6 pttt -61.85 -15.88 45.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.257 -0.902 . . . . 0.0 109.638 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.97 -72.77 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 109.464 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.49 -5.29 23.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.35 -0.844 . . . . 0.0 109.789 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -82.4 -28.08 31.65 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.956 . . . . 0.0 109.447 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -88.16 -34.2 17.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.432 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 33' ' ' LYS . 2.4 pp -45.15 -33.16 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.707 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -51.11 -66.06 0.45 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm . . . . . 0 C--N 1.305 -1.339 0 O-C-N 121.172 -0.955 . . . . 0.0 109.522 -180.0 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.641 ' NE1' HD12 ' A' ' 3' ' ' LEU . 26.4 p-90 -45.66 -36.91 5.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.109 -0.994 . . . . 0.0 109.652 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 1.045 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -57.46 -47.74 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.539 -0.725 . . . . 0.0 109.53 -179.051 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -48.05 -29.79 3.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.936 . . . . 0.0 109.004 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.02 -36.94 27.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.336 -0.852 . . . . 0.0 109.502 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.532 ' NE ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.36 4.79 47.78 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.714 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 3' ' ' LEU . 66.3 t -91.08 -46.68 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.18 -0.95 . . . . 0.0 109.748 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -25.49 20.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.346 -0.846 . . . . 0.0 109.722 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.72 -43.78 71.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.272 -0.892 . . . . 0.0 109.416 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.77 -57.06 12.24 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.585 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.619 HD11 HG12 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -58.21 -33.77 69.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.682 -179.78 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.25 -31.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.158 -0.964 . . . . 0.0 109.496 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.8 73.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -20.65 62.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.442 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.8 -13.94 17.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.376 -0.828 . . . . 0.0 109.476 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.33 60.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.608 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.41 44.67 2.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.0 109.477 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.86 161.93 33.69 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 19' ' ' THR . 11.3 t -128.22 40.03 3.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.267 -1.137 . . . . 0.0 109.359 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.76 74.54 0.94 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 0.0 109.333 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t 179.61 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.255 -0.903 . . . . 0.0 109.428 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -103.11 23.38 12.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.439 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.95 -43.94 1.49 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -72.59 -2.1 18.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 28' ' ' MET . 34.5 mt -50.45 -23.28 2.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.7 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -34.06 16.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 109.568 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.54 60.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 110.004 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 21.5 ptt? -67.68 -28.06 67.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -0.996 . . . . 0.0 109.756 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.79 -38.68 79.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.881 . . . . 0.0 109.823 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.36 -54.68 37.22 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.178 -0.952 . . . . 0.0 109.757 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.39 75.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.876 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.887 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.2 tp -54.77 -49.36 71.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.737 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.33 -24.99 68.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.879 -179.663 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.28 52.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.951 . . . . 0.0 109.664 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.94 -37.67 54.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.953 . . . . 0.0 109.791 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -49.31 -35.31 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.551 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -61.18 2.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.877 . . . . 0.0 109.477 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tttt . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.514 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 4' ' ' LYS . 4.4 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.131 0.491 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.742 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.2 p-90 -52.8 -34.01 51.61 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.163 -0.96 . . . . 0.0 109.925 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 1.009 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -55.68 -39.57 71.15 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.92 -178.713 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER -52.18 -34.37 44.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -33.32 33.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.95 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.542 ' CG ' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.94 0.42 57.09 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.076 -1.015 . . . . 0.0 110.149 -179.499 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 3' ' ' LEU . 99.5 t -90.29 -66.42 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 120.986 -1.071 . . . . 0.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLN . 5.7 pt-20 -49.29 -36.73 21.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.75 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 1.3 tt0 -57.42 -49.56 75.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.235 -0.916 . . . . 0.0 109.478 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.5 77.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.815 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD22 ' CE ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -84.16 7.06 20.16 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.179 -0.951 . . . . 0.0 110.073 -179.472 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 8' ' ' GLU . 2.2 mt-30 -77.3 -51.4 10.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.057 -1.027 . . . . 0.0 109.474 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -57.07 -23.65 48.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.228 -0.92 . . . . 0.0 109.552 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.21 -48.66 78.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 0.0 109.646 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -86.0 -8.15 58.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.34 54.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.282 -0.886 . . . . 0.0 109.54 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.532 ' NH1' ' HB1' ' A' ' 13' ' ' ALA . 6.4 mtt180 -103.15 51.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.211 -0.931 . . . . 0.0 109.516 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.25 106.75 0.22 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.8 p -89.49 25.73 1.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.237 -1.154 . . . . 0.0 109.586 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -107.2 52.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 109.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.79 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -88.06 15.7 7.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.338 -0.851 . . . . 0.0 109.646 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.34 -42.87 2.22 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -77.84 2.25 17.81 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.201 -0.937 . . . . 0.0 109.861 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.02 -34.89 45.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.969 . . . . 0.0 109.443 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -71.0 -42.62 69.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.63 -29.7 68.2 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.294 -0.878 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.693 ' CE ' HD22 ' A' ' 11' ' ' LEU . 7.3 tpt -63.3 -31.27 72.37 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 109.397 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.57 -44.57 90.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -56.93 14.91 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 109.419 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -23.85 66.46 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.254 -0.904 . . . . 0.0 109.453 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.11 -49.52 73.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.847 . . . . 0.0 109.614 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.65 33.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.585 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.42 -37.72 80.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 109.52 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -70.95 -43.19 68.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 0.0 109.635 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.12 -43.23 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.619 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -69.5 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttp . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.229 -0.919 . . . . 0.0 109.492 -179.991 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.788 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 34.1 p-90 -56.29 -27.1 54.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.335 -0.853 . . . . 0.0 109.809 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.788 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -60.72 -35.93 77.57 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.123 -0.986 . . . . 0.0 109.607 -179.417 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' LEU . 1.9 pttm -47.86 -34.33 8.67 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.53 55.63 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.614 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.9 mmp_? -52.82 -35.52 57.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.432 -0.792 . . . . 0.0 109.393 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.05 -25.1 5.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.29 -0.882 . . . . 0.0 110.033 -179.113 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.98 -35.79 77.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.156 -0.965 . . . . 0.0 109.865 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.58 -51.3 60.78 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.82 -44.68 96.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.232 -0.917 . . . . 0.0 109.672 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.73 -13.7 61.8 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 109.88 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.97 -39.85 83.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.679 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.87 73.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.298 -0.877 . . . . 0.0 109.8 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.15 -46.7 76.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.152 -0.968 . . . . 0.0 109.694 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.08 -39.49 66.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 109.524 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.57 75.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -118.76 45.31 2.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 0.0 109.581 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.8 -0.35 42.34 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.19 73.06 0.34 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.169 -1.195 . . . . 0.0 109.42 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 t70 55.95 49.84 15.07 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 109.48 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 p -86.69 53.37 2.79 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -101.41 15.18 29.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.207 -0.933 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 -48.67 2.23 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.66 -0.65 . . . . 0.0 109.444 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.16 -8.38 30.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.314 -0.866 . . . . 0.0 109.727 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.4 mt -47.4 -34.49 7.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -49.32 76.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.193 -0.942 . . . . 0.0 109.494 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.78 72.6 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 0.0 109.659 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.06 -26.22 65.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.499 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -70.25 -36.68 74.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.897 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.246 -0.909 . . . . 0.0 109.638 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -57.92 -23.92 55.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 109.862 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -61.38 2.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.135 -0.978 . . . . 0.0 109.73 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.877 ' HA ' HD12 ' A' ' 36' ' ' ILE . 2.8 tttt -56.91 -28.08 61.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -65.59 -34.42 78.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.191 -0.943 . . . . 0.0 109.605 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.74 -48.29 26.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 109.687 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 33' ' ' LYS . 4.8 mt -50.77 -32.92 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.246 -0.909 . . . . 0.0 109.452 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -51.51 69.5 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 tttp . . . . . 0 N--CA 1.487 1.411 0 O-C-N 121.27 -0.893 . . . . 0.0 109.573 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.238 0.542 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.764 ' CE2' HD12 ' A' ' 3' ' ' LEU . 30.1 p-90 -53.11 -30.51 36.98 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.176 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.764 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -58.37 -38.5 77.4 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.095 -1.003 . . . . 0.0 109.71 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -45.65 -36.71 5.03 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.93 62.61 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -51.55 -30.41 20.54 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.2 t -83.24 -39.36 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.461 -0.775 . . . . 0.0 110.004 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -55.74 30.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.148 -0.97 . . . . 0.0 109.342 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -55.93 -25.41 43.17 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.208 -0.932 . . . . 0.0 109.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -64.44 0.86 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.375 -0.828 . . . . 0.0 109.756 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -77.89 3.5 14.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.232 -0.917 . . . . 0.0 109.953 -179.686 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.6 mt-30 -74.05 -56.9 4.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.584 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.28 -0.887 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.3 -57.45 6.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.145 -0.972 . . . . 0.0 109.588 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.33 -15.44 63.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -68.9 -28.72 66.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.0 109.451 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -130.88 32.16 4.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.368 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.26 111.44 1.43 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.42 44.75 1.0 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -1.155 . . . . 0.0 109.357 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -161.44 55.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.678 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.45 36.21 0.06 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.156 -0.965 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -87.6 14.16 8.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.665 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.41 -43.11 2.19 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.593 -0.692 . . . . 0.0 109.555 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.8 -10.7 39.97 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 109.685 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 18.7 mt -52.67 -45.11 66.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' NH2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.07 -61.99 2.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.717 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.84 -25.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.878 . . . . 0.0 109.833 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 ttm -70.69 -55.35 8.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -46.05 -34.96 4.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.641 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.83 10.97 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.167 -0.958 . . . . 0.0 109.766 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -60.77 -22.2 63.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 109.765 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.5 tp -48.09 -70.8 0.08 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 0.0 109.849 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.944 ' HA ' HD12 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 109.794 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -52.54 -35.45 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.264 -0.897 . . . . 0.0 109.746 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.46 -41.18 61.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.781 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 33' ' ' LYS . 50.1 mt -54.43 -22.15 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.8 tt0 -85.39 42.15 0.93 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 109.86 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER 167.83 -50.51 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.903 . . . . 0.0 109.53 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.971 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SIN . . . . . 0.474 ' H31' ' HB3' ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 6' ' ' ARG . 29.5 p-90 -62.52 -27.74 69.36 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.165 -0.96 . . . . 0.0 109.43 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.16 HD13 ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -60.49 -22.72 63.85 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.319 -0.863 . . . . 0.0 109.34 -178.686 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.16 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.15 -38.05 70.35 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.418 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.15 72.7 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -60.48 -37.76 82.06 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 HD22 ' A' ' 3' ' ' LEU . 3.3 t -75.67 -45.37 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.466 -0.771 . . . . 0.0 109.685 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.39 -46.0 55.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.306 -0.871 . . . . 0.0 109.53 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -60.05 -55.7 30.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.206 -0.934 . . . . 0.0 109.674 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.49 -40.73 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 109.89 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 25' ' ' LEU . 6.2 mt -69.7 -38.74 77.08 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.1 tt0 -63.78 -26.14 68.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.105 -0.997 . . . . 0.0 109.778 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.46 -54.9 6.08 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -72.18 -4.45 29.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.943 . . . . 0.0 110.005 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 5.3 tt0 -115.35 -16.03 11.5 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.075 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -89.52 3.73 51.53 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.104 -0.998 . . . . 0.0 109.924 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' GLY . 8.9 mmm180 -143.54 22.73 1.82 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 109.847 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' ARG . . . 40.65 87.43 0.01 OUTLIER Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 19' ' ' THR . 10.1 t -147.28 81.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -1.172 . . . . 0.0 109.539 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 58.58 60.6 2.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.341 -0.85 . . . . 0.0 109.502 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.95 -157.09 0.29 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-80 60.02 15.47 5.1 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -0.85 . . . . 0.0 109.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.11 -53.75 0.39 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.473 -0.767 . . . . 0.0 109.492 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.83 7.17 9.24 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.312 -0.867 . . . . 0.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.529 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.9 mt -51.27 -30.92 19.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 29' ' ' GLU . 5.2 mmp_? -61.09 -43.32 99.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.486 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.82 62.68 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 ttm -58.61 -18.4 29.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 2.9 tt0 -68.57 -49.41 59.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.107 -0.996 . . . . 0.0 109.453 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.8 90.43 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 2.0 mttt -61.2 -20.24 62.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.2 tp -43.15 -69.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HA ' HG12 ' A' ' 36' ' ' ILE . 29.4 mttt -58.66 -27.42 64.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.852 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -53.63 -34.22 57.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.32 -41.61 39.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.189 -0.944 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' A' ' 33' ' ' LYS . 12.1 mm -51.45 -41.4 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.194 -0.941 . . . . 0.0 109.66 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -45.95 70.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.298 -0.876 . . . . 0.0 109.396 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -66.39 -54.59 22.59 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.263 -0.898 . . . . 0.0 109.584 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.612 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 34.2 p-90 -52.5 -25.45 10.31 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.055 -1.028 . . . . 0.0 109.516 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' CD2' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -55.46 -45.55 76.88 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LEU . 5.1 mtpt -40.94 -35.46 0.52 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.44 -47.71 59.38 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.612 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.0 mmp_? -53.5 -45.63 69.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 7' ' ' VAL . 2.1 t -71.29 -29.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.56 -0.712 . . . . 0.0 109.71 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -28.45 66.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.913 . . . . 0.0 109.237 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -52.06 31.25 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 4.0 mm-40 -59.81 -46.48 89.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.282 -0.886 . . . . 0.0 109.491 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.05 -24.81 64.85 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 109.409 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.817 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.36 -39.34 92.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.617 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -21.38 62.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.244 -0.91 . . . . 0.0 109.786 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 14' ' ' LEU . 1.9 tt -75.15 -60.58 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 109.638 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.21 -4.57 48.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 109.685 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.817 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -71.58 -45.63 61.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 19' ' ' THR . 3.5 ttm180 -87.45 41.47 0.98 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.79 -94.43 0.01 OUTLIER Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ARG . 7.9 m 64.6 28.53 13.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.186 -1.184 . . . . 0.0 109.237 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 47.53 47.05 17.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.239 -0.913 . . . . 0.0 109.27 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -108.6 13.19 25.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.456 -0.777 . . . . 0.0 109.524 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -88.38 21.19 2.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.609 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.42 -40.27 2.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.417 -0.802 . . . . 0.0 109.164 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -86.37 15.63 5.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.345 -0.847 . . . . 0.0 109.529 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 22' ' ' ASN . 20.5 mt -52.59 -26.59 13.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -0.865 . . . . 0.0 109.679 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 3.6 tpp180 -81.41 -33.15 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.611 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.88 -12.49 60.17 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.188 -0.945 . . . . 0.0 109.751 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -39.36 72.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.636 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -33.87 71.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 109.647 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.3 -64.25 1.02 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.233 -0.917 . . . . 0.0 109.802 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -59.29 -25.53 64.19 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.259 -0.901 . . . . 0.0 109.961 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 36' ' ' ILE . 11.3 tp -52.11 -53.78 38.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.128 -0.983 . . . . 0.0 109.527 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.83 -32.38 63.53 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.157 -0.964 . . . . 0.0 109.365 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.15 74.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' OE1' ' CG1' ' A' ' 7' ' ' VAL . 12.9 mt-10 -66.63 -51.05 60.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.356 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.5 mp -56.21 -35.68 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.554 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' LYS . 44.8 mt-30 -52.02 -56.63 13.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.474 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' GLN . 11.9 tttt -44.34 -54.09 6.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.025 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SIN . . . . . 0.561 ' O3 ' ' CB ' ' A' ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.561 ' CB ' ' O3 ' ' A' ' 0' ' ' SIN . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.74 ' NE1' HD12 ' A' ' 3' ' ' LEU . 28.6 p-90 -48.99 -31.69 7.9 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.09 -1.006 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.938 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.84 -44.32 81.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 109.992 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -51.5 -31.06 22.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 109.011 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.73 -36.81 25.47 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.403 -0.811 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -90.49 7.01 41.09 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.23 -0.919 . . . . 0.0 109.931 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 3' ' ' LEU . 45.3 t -89.79 -48.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 O-C-N 121.107 -0.995 . . . . 0.0 109.525 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.64 -21.71 65.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -0.949 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 2.5 tt0 -74.58 -48.09 28.73 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.327 -0.858 . . . . 0.0 109.904 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 12.5 pt-20 -67.36 -34.79 78.03 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.197 -0.94 . . . . 0.0 109.863 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' HG3' ' A' ' 10' ' ' GLU . 15.0 mt -79.62 -15.01 58.39 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.099 -1.0 . . . . 0.0 109.966 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -58.47 -17.52 21.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.159 -0.963 . . . . 0.0 109.577 -179.706 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.36 0.68 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.237 -0.914 . . . . 0.0 109.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.1 mm? -55.4 -43.92 75.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 109.679 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.79 -28.71 65.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.956 . . . . 0.0 109.504 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -59.72 -36.3 76.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 0.0 109.419 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.25 67.33 0.78 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . -116.59 25.61 8.99 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.5 m 72.8 81.36 0.14 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -1.161 . . . . 0.0 109.472 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER 43.83 55.75 4.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.305 -0.872 . . . . 0.0 109.476 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.07 10.42 6.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.834 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.1 m120 -88.23 20.47 3.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.071 -1.018 . . . . 0.0 109.524 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.18 -47.13 2.49 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.408 -0.807 . . . . 0.0 109.106 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' LEU . 13.8 mm-40 -72.54 -12.41 61.06 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.366 -0.834 . . . . 0.0 109.372 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -44.96 -25.92 0.36 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.271 -0.893 . . . . 0.0 109.502 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -62.74 1.51 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.74 68.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.247 -0.908 . . . . 0.0 109.563 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.43 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -59.28 -34.75 72.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.474 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE2' HD22 ' A' ' 32' ' ' LEU . 3.7 mm-40 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -54.82 40.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.346 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER -62.62 -19.66 64.0 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.296 -0.878 . . . . 0.0 109.42 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' OE2' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -61.14 -43.98 98.05 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.902 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.692 ' HE3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -54.69 -44.58 73.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.65 74.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.9 -42.24 97.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 0.0 109.311 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.692 HD12 ' HE3' ' A' ' 33' ' ' LYS . 67.5 mt -54.74 -56.27 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.228 -0.92 . . . . 0.0 109.393 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 39' ' ' NH2 . 27.5 tp60 -51.32 -62.92 1.32 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.352 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -68.52 53.44 0.08 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.253 -0.904 . . . . 0.0 109.481 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . 0.472 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.031 -1.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SIN . . . . . 0.477 ' O2 ' HD13 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CZ2' ' HG ' ' A' ' 3' ' ' LEU . 24.9 p-90 -50.22 -37.5 35.75 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.198 -0.939 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.829 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -56.48 -41.99 77.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.903 -178.725 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -48.91 -34.65 13.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.106 -0.996 . . . . 0.0 108.837 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.36 -54.0 12.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.368 -0.833 . . . . 0.0 109.631 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.798 ' HD2' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -75.74 2.59 11.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.97 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 3' ' ' LEU . 37.8 t -90.63 -35.54 7.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.071 -1.018 . . . . 0.0 109.631 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.4 mt-10 -65.54 -48.08 73.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.246 -0.909 . . . . 0.0 109.497 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.92 86.78 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 109.713 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -45.92 90.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.567 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD23 ' HE3' ' A' ' 28' ' ' MET . 8.6 mt -57.36 -39.89 76.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -21.97 55.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.309 -0.87 . . . . 0.0 109.505 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -65.07 -29.25 70.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -32.66 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 0.0 109.504 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' HD21 ' A' ' 25' ' ' LEU . 5.7 tp10 -63.84 -49.12 74.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -8.86 29.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 0.0 109.588 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 9.0 mtp180 -104.63 33.85 3.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.183 -0.948 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.75 142.23 3.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p -114.15 7.8 16.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.332 -1.099 . . . . 0.0 109.429 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.35 56.93 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 109.281 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HD11 ' A' ' 25' ' ' LEU . 29.9 t -177.4 30.9 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.28 -0.887 . . . . 0.0 109.564 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 12.7 p30 -92.02 14.26 16.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.24 -26.75 9.01 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.685 -0.634 . . . . 0.0 109.444 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.18 12.15 12.33 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.267 -0.896 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD21 ' OE1' ' A' ' 15' ' ' GLU . 6.1 mp -63.92 -18.9 64.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.11 -0.993 . . . . 0.0 109.472 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.87 52.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.199 -0.938 . . . . 0.0 109.497 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.38 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.69 ' HE3' HD23 ' A' ' 11' ' ' LEU . 2.5 ptt? -67.83 -16.76 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.0 -41.8 95.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.322 -0.861 . . . . 0.0 109.844 -179.802 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.77 -65.88 0.62 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.168 -0.958 . . . . 0.0 109.759 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -53.66 -25.77 19.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.555 HD11 HG13 ' A' ' 7' ' ' VAL . 17.9 tp -53.24 -69.94 0.1 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.657 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.81 -12.78 11.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.919 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 -29.9 41.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.875 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 28.4 tt0 -89.1 -29.3 19.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.077 -1.014 . . . . 0.0 109.836 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 33' ' ' LYS . 1.7 pp -45.31 -32.17 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.15 -0.968 . . . . 0.0 109.59 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -61.92 -60.18 4.01 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 109.593 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -58.88 -26.12 63.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.012 -1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SIN . . . . . 0.427 ' H32' HD11 ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.222 0.534 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.666 ' CE3' ' HD3' ' A' ' 6' ' ' ARG . 16.5 p-90 -50.45 -40.23 50.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.265 -0.897 . . . . 0.0 110.005 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.001 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -60.6 -37.68 82.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.184 -178.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.08 -33.44 3.47 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -44.62 71.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.666 ' HD3' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.44 8.85 31.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.16 -0.962 . . . . 0.0 110.086 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 3' ' ' LEU . 83.5 t -87.32 -32.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.077 -1.014 . . . . 0.0 109.602 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -59.97 3.13 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 109.212 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.481 ' HA ' ' HB2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -50.02 -27.41 5.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.254 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.79 -65.58 0.66 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.292 -0.88 . . . . 0.0 109.813 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -79.56 6.41 10.56 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.247 -0.908 . . . . 0.0 109.993 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.481 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -67.33 -45.69 75.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 0.0 109.538 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -16.99 63.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.875 . . . . 0.0 109.623 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.05 -59.85 2.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.753 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.91 -5.1 44.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -86.96 -11.29 50.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.11 -0.994 . . . . 0.0 109.622 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 18' ' ' GLY . 3.2 mtm180 -92.54 25.27 3.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . 42.83 94.85 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -147.97 64.43 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 0.0 109.334 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' THR . 13.9 t0 43.1 45.71 4.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.331 -0.856 . . . . 0.0 109.361 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -86.02 3.78 40.79 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 109.611 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.7 t-20 -90.91 21.42 4.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.95 -43.55 1.07 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.373 -0.829 . . . . 0.0 109.693 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.5 18.88 2.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.252 -0.905 . . . . 0.0 109.894 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.4 mt -66.17 -31.59 72.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.054 -1.029 . . . . 0.0 109.53 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -79.35 -34.25 42.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 109.658 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.76 -25.94 56.94 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.24 -0.912 . . . . 0.0 109.883 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 11' ' ' LEU . 35.1 ttp -65.36 -29.78 70.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.228 -0.92 . . . . 0.0 109.788 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.69 -46.22 89.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.201 -0.937 . . . . 0.0 109.773 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -50.34 66.03 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -64.78 -12.88 52.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.889 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.783 HD11 HG11 ' A' ' 7' ' ' VAL . 65.3 tp -62.5 -45.82 91.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.6 tttp -76.02 2.71 12.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.311 -0.868 . . . . 0.0 110.056 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 -48.26 7.85 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.072 -1.017 . . . . 0.0 109.911 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -74.47 -22.94 58.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.861 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.521 HG23 ' N ' ' A' ' 37' ' ' GLN . 7.9 tt -66.82 -42.21 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' N ' HG23 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -49.13 -50.93 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.519 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -68.87 0.33 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 0.0 109.58 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 121.146 0.498 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.953 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 30.7 p-90 -54.51 -33.86 60.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.953 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.74 -36.4 72.02 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.177 -0.952 . . . . 0.0 109.689 -179.085 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -38.82 14.91 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.88 69.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.589 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -52.04 -35.74 48.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.174 179.191 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.2 t -80.14 -32.59 13.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.36 -60.73 2.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.903 . . . . 0.0 109.856 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -51.05 -33.02 23.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -0.902 . . . . 0.0 109.886 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.57 -56.84 10.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 0.0 109.938 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 HD22 ' A' ' 25' ' ' LEU . 82.1 mt -57.28 -21.9 37.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.961 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.6 -52.12 65.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.112 -0.993 . . . . 0.0 109.847 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.09 -28.34 57.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 109.93 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.58 99.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.199 -0.938 . . . . 0.0 109.75 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 5.1 pt-20 -78.9 -19.22 52.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.125 -0.984 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -48.37 -57.64 5.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.188 -0.945 . . . . 0.0 109.501 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -139.62 65.52 1.43 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.551 ' C ' HG22 ' A' ' 19' ' ' THR . . . -83.13 -116.74 0.57 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.551 HG22 ' C ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 170.15 89.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -1.133 . . . . 0.0 109.442 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER 62.65 63.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.305 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 m -177.67 41.86 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.243 -0.91 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -100.84 15.1 29.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.58 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.01 -39.9 2.67 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.647 -0.658 . . . . 0.0 109.475 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.18 -17.63 42.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 109.523 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.56 HD22 HD22 ' A' ' 11' ' ' LEU . 48.0 mt -53.96 -27.44 31.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.744 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -75.42 -40.9 57.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 109.492 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.83 -21.65 64.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.275 -0.891 . . . . 0.0 109.807 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -27.51 69.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.154 -0.966 . . . . 0.0 109.718 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 1.4 tt0 -54.04 -43.36 70.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -0.935 . . . . 0.0 109.764 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.17 76.09 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.936 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -15.59 58.07 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.183 -0.948 . . . . 0.0 110.178 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 HG11 ' A' ' 7' ' ' VAL . 26.1 tp -51.67 -38.93 57.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.094 -1.004 . . . . 0.0 109.589 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -64.52 -49.55 70.88 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 109.757 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.65 23.23 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.929 . . . . 0.0 109.752 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -82.28 -33.92 28.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.0 109.428 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.79 -28.73 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.654 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' NH2 . 4.6 tt0 -52.94 -53.5 48.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.433 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -51.4 -5.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.43 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.024 -1.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.793 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.1 p-90 -46.86 -35.14 6.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.173 -0.955 . . . . 0.0 109.717 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -55.81 -46.37 78.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE2' HD13 ' A' ' 36' ' ' ILE . 40.4 mttm -47.62 -33.99 7.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.035 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.12 -38.57 35.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.332 -0.855 . . . . 0.0 109.488 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.9 8.08 34.03 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.251 -0.906 . . . . 0.0 109.864 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.913 HG11 HD11 ' A' ' 32' ' ' LEU . 43.4 t -90.39 -72.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.115 -0.991 . . . . 0.0 109.291 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -48.49 -23.61 1.02 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.148 -0.97 . . . . 0.0 109.236 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 79.8 mt-30 -67.78 -54.22 20.91 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.269 -0.895 . . . . 0.0 109.75 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.2 pt-20 -62.32 -41.02 98.19 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.967 . . . . 0.0 109.667 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 13.1 mt -70.11 -18.6 63.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.267 -0.896 . . . . 0.0 109.811 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -59.22 -22.85 61.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.183 -0.948 . . . . 0.0 109.75 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.98 -62.08 1.69 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -15.44 63.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 109.243 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 2.1 mm-40 -74.21 -20.62 60.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.364 -0.835 . . . . 0.0 109.176 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.45 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.534 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.5 27.59 1.47 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.65 -136.19 24.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.806 -1.318 . . . . 0.0 109.806 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.2 p -108.5 61.36 0.61 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.599 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -149.0 68.43 1.05 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.216 -0.928 . . . . 0.0 109.54 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 167.36 38.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.279 -0.888 . . . . 0.0 109.605 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.1 t30 -93.1 20.51 6.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.381 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.46 -42.38 1.97 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.405 -0.81 . . . . 0.0 109.463 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.21 -22.68 52.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 3.6 mt -50.86 -34.92 30.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 0.0 109.643 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 10.3 mmp_? -75.22 -43.13 53.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.623 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.51 -7.74 34.99 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.244 -0.91 . . . . 0.0 109.755 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 tpt -74.51 -47.0 35.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 2.6 pt-20 -47.72 -24.1 0.86 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.22 -0.925 . . . . 0.0 109.561 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -69.31 0.28 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.268 -0.895 . . . . 0.0 109.673 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -64.73 -13.15 53.68 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.413 -0.804 . . . . 0.0 109.836 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.913 HD11 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -57.31 -50.45 72.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.703 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -14.95 59.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.133 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.52 37.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.58 -34.74 35.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.146 -0.971 . . . . 0.0 109.852 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 32' ' ' LEU . 63.1 mt -55.67 -20.74 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.659 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.1 -34.02 3.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.916 . . . . 0.0 109.597 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -169.14 103.94 0.38 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.249 -0.907 . . . . 0.0 109.485 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.671 ' NE1' HD12 ' A' ' 3' ' ' LEU . 24.9 p-90 -47.07 -36.0 7.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 0.0 110.026 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.009 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -57.1 -46.51 82.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -49.74 -29.65 8.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -38.66 24.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.585 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -88.67 4.32 47.62 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.167 -0.958 . . . . 0.0 109.938 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 3' ' ' LEU . 83.2 t -90.2 -42.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.06 -1.025 . . . . 0.0 109.474 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -60.06 -55.16 37.36 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.242 -0.911 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.54 -34.94 69.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -0.872 . . . . 0.0 109.263 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.26 -57.52 12.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.297 -0.877 . . . . 0.0 109.38 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD21 ' HE2' ' A' ' 28' ' ' MET . 1.8 mt -65.92 -10.9 43.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.307 -0.87 . . . . 0.0 109.478 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.95 -32.76 74.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.622 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.83 94.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.199 -0.938 . . . . 0.0 109.762 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -24.29 65.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.734 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.66 3.97 32.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.143 -0.973 . . . . 0.0 109.623 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.83 31.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.0 109.677 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.91 26.63 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.92 . . . . 0.0 109.503 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . 56.98 -115.05 5.98 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.3 m 76.63 51.13 0.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.285 -1.126 . . . . 0.0 109.361 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 48.79 49.8 18.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 p -114.68 -1.78 13.21 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' ' 25' ' ' LEU . 8.9 p30 -89.76 16.09 8.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.217 -0.927 . . . . 0.0 109.595 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.08 -45.16 2.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.633 -0.667 . . . . 0.0 109.419 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -78.88 -6.15 55.4 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -53.49 -31.41 45.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.906 . . . . 0.0 109.549 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -72.44 -46.71 53.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.166 -0.959 . . . . 0.0 109.394 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -15.32 63.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.405 -0.809 . . . . 0.0 109.653 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.657 ' HE2' HD21 ' A' ' 11' ' ' LEU . 9.1 tpt -69.11 -36.51 77.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 109.5 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 30' ' ' ALA . 16.6 pt-20 -49.47 -43.19 44.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.105 -0.997 . . . . 0.0 109.178 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 29' ' ' GLU . . . -64.19 -48.95 73.93 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.248 -0.908 . . . . 0.0 109.395 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -56.23 -25.75 48.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.304 -0.872 . . . . 0.0 109.667 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.99 -64.45 0.9 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.342 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -42.36 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.31 -0.869 . . . . 0.0 109.539 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.65 20.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.277 -0.89 . . . . 0.0 109.463 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 tt0 -77.38 -61.21 2.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.89 . . . . 0.0 109.398 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 36' ' ' ILE . 6.3 mm -44.31 -32.66 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.224 -0.922 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.07 -72.07 0.07 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.896 . . . . 0.0 109.336 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 61.96 0.43 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 109.483 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.029 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 26.4 p-90 -58.43 -37.12 74.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.214 -0.929 . . . . 0.0 109.418 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -56.55 -26.87 56.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.635 -0.665 . . . . 0.0 110.313 -178.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -64.02 -35.47 80.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.921 -1.112 . . . . 0.0 108.91 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -78.3 -49.0 14.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.365 -0.834 . . . . 0.0 109.174 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -71.3 -9.83 58.76 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 110.004 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 3' ' ' LEU . 12.8 t -90.73 -57.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.34 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 5' ' ' ALA . 22.7 pt-20 -46.59 -42.5 16.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.566 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 8' ' ' GLU . 2.0 tp60 -62.84 -49.33 75.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.309 -0.869 . . . . 0.0 109.773 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -36.64 64.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.886 . . . . 0.0 109.886 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 28' ' ' MET . 27.7 mt -73.17 -33.82 65.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.091 -1.006 . . . . 0.0 110.043 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.98 71.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.952 . . . . 0.0 109.962 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 -56.81 15.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 109.889 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.3 -11.94 60.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' A' ' 25' ' ' LEU . 3.9 mm-40 -94.7 -12.29 27.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.438 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.36 -46.87 73.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 0.0 109.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -156.77 65.77 0.53 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . -90.42 40.92 2.97 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 71.7 p 47.64 75.66 0.13 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -1.153 . . . . 0.0 109.603 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' THR . 2.9 t70 75.91 52.84 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.31 20.49 8.13 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.23 -0.919 . . . . 0.0 109.654 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -91.87 24.85 3.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.929 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.75 -45.66 1.75 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.408 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -59.81 -15.38 20.31 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.285 -0.884 . . . . 0.0 109.407 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 22.6 mt -44.73 -30.37 0.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.0 109.542 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HG2' ' NH1' ' A' ' 26' ' ' ARG . 7.6 mmp_? -70.32 -48.48 56.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -13.59 15.0 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.769 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.473 ' CG ' HD13 ' A' ' 11' ' ' LEU . 15.6 ttp -63.07 -40.76 98.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 0.0 109.78 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -47.74 79.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.246 -0.909 . . . . 0.0 109.807 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.34 84.49 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.241 -0.912 . . . . 0.0 110.013 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -63.58 -33.21 75.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.2 -0.937 . . . . 0.0 110.014 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -54.18 -59.67 4.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 109.642 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -59.55 -20.09 53.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.719 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.36 -32.98 74.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.165 -0.959 . . . . 0.0 109.736 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.43 -63.26 1.32 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.757 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.4 pt -49.12 -34.75 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.21 -0.931 . . . . 0.0 109.645 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.0 mm-40 -45.41 -63.6 0.91 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.0 109.372 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.01 63.3 0.66 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.226 -0.921 . . . . 0.0 109.472 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.979 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.227 0.537 . . . . 0.0 109.657 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.917 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 28.4 p-90 -54.16 -33.23 57.47 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 110.134 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.917 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -56.42 -37.1 69.73 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.194 -0.941 . . . . 0.0 109.775 -179.144 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.42 -40.15 11.69 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.14 -40.26 74.91 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -52.29 -34.46 46.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 0.0 109.197 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.3 t -82.95 -31.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 121.537 -0.727 . . . . 0.0 110.081 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.55 -60.77 2.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.734 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 1.1 mt-30 -49.86 -36.19 26.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.938 . . . . 0.0 109.695 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.19 -58.48 8.47 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.691 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.5 mt -65.34 -14.93 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.188 -0.945 . . . . 0.0 109.949 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -58.86 -46.7 87.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.067 -1.02 . . . . 0.0 109.292 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.15 65.83 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.2 -0.937 . . . . 0.0 109.328 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 14' ' ' LEU . 2.3 tp -62.19 -36.96 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.408 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -91.87 0.15 57.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 0.0 109.483 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 -19.97 60.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER 176.0 77.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.297 -0.877 . . . . 0.0 109.442 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' THR . . . -121.79 -84.22 0.73 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 179.5 93.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.176 -1.19 . . . . 0.0 109.643 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.51 55.43 6.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t -96.29 0.5 50.94 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.089 -1.007 . . . . 0.0 109.616 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 18.9 t30 -93.9 21.4 6.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.926 . . . . 0.0 109.477 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.9 -42.33 2.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.109 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.6 mt-10 -75.43 -0.48 20.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 109.605 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' CE ' ' A' ' 28' ' ' MET . 8.5 mt -43.08 -29.83 0.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 0.0 109.962 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -68.55 -60.87 2.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.132 -0.98 . . . . 0.0 109.416 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.64 -8.46 20.57 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.22 -0.925 . . . . 0.0 109.698 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.627 ' CE ' HD23 ' A' ' 25' ' ' LEU . 9.7 ttp -75.42 -44.86 42.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.143 -0.973 . . . . 0.0 109.566 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 13.1 pt-20 -53.53 -36.84 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 109.098 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.95 61.84 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.301 -0.874 . . . . 0.0 109.262 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -60.49 -21.06 61.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.333 -0.854 . . . . 0.0 109.429 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -62.35 -57.02 12.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.719 ' HA ' HD11 ' A' ' 36' ' ' ILE . 16.8 mttm -62.61 -28.68 70.06 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.675 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 37' ' ' GLN . . . -63.71 -46.67 84.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.97 . . . . 0.0 109.497 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -60.02 3.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -0.911 . . . . 0.0 109.523 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -55.66 -23.46 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.548 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -43.65 -40.52 4.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 0.0 109.615 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.03 -55.43 5.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 0.0 109.439 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.209 0.528 . . . . 0.0 109.787 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.656 ' CE2' HD12 ' A' ' 3' ' ' LEU . 26.9 p-90 -59.65 -38.47 81.5 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.22 -0.925 . . . . 0.0 110.028 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.656 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -57.57 -21.85 41.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.795 . . . . 0.0 110.172 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.3 OUTLIER -69.08 -35.17 76.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.015 . . . . 0.0 108.884 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.1 -28.38 25.63 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.418 -0.801 . . . . 0.0 109.737 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.16 -10.31 44.97 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.088 -1.008 . . . . 0.0 110.198 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' HD12 ' A' ' 11' ' ' LEU . 9.7 p -90.54 -33.65 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.001 -1.062 . . . . 0.0 109.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -39.22 81.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 109.685 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -46.76 81.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.206 -0.934 . . . . 0.0 109.655 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -45.5 80.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.137 -0.977 . . . . 0.0 109.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 7' ' ' VAL . 6.8 mt -68.23 -9.58 48.21 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.749 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -73.71 -54.68 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.722 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.07 -19.9 61.96 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.3 -0.875 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.92 -44.92 37.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.632 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.42 -15.38 56.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 109.575 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.75 -46.94 23.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.2 -0.938 . . . . 0.0 109.486 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.05 51.04 0.86 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.68 179.14 21.89 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -121.69 19.02 11.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -1.131 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -165.04 51.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.2 m -68.93 -169.75 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 0.0 109.751 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.448 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.1 t30 54.8 19.35 2.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.437 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.85 -43.57 0.58 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.485 -0.759 . . . . 0.0 109.562 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 28' ' ' MET . 60.3 mm-40 -85.61 23.59 1.36 Allowed 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.227 -0.921 . . . . 0.0 110.067 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 22' ' ' ASN . 21.6 mt -78.98 -66.35 0.88 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.08 -1.013 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 8.0 mmp_? -60.53 -37.95 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 0.0 109.405 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.52 73.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.535 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 5.0 tmm? -65.67 -24.18 66.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.0 109.569 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.11 -50.2 69.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 -179.774 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -58.9 4.79 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.827 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -20.14 13.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 24.1 tp -65.83 -48.89 70.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.918 . . . . 0.0 109.788 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -22.62 58.08 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.274 -0.891 . . . . 0.0 110.046 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.09 -28.88 39.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.107 -0.996 . . . . 0.0 110.002 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' NH2 . 0.6 OUTLIER -87.95 -42.4 12.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.01 . . . . 0.0 109.678 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -55.85 -32.21 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.681 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.8 -38.13 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -173.89 -19.17 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.269 -0.894 . . . . 0.0 109.49 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.742 ' CE2' HD22 ' A' ' 3' ' ' LEU . 39.3 p-90 -55.25 -24.36 27.5 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.024 -1.047 . . . . 0.0 109.709 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.5 mm? -49.49 -40.92 39.19 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.277 -0.89 . . . . 0.0 109.069 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -43.79 64.04 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.515 -0.741 . . . . 0.0 109.543 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.52 -45.33 65.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.556 ' CG ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -76.02 -2.33 30.1 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.091 -1.006 . . . . 0.0 109.984 -179.53 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 3' ' ' LEU . 45.4 t -90.2 -54.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.172 -0.955 . . . . 0.0 109.305 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.09 -33.14 74.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.0 109.172 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -29.95 70.4 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.318 -0.864 . . . . 0.0 109.459 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -59.25 2.84 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.321 -0.862 . . . . 0.0 109.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.682 HD22 ' SD ' ' A' ' 28' ' ' MET . 1.2 mt -59.01 -25.54 63.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.227 -0.92 . . . . 0.0 109.775 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -74.45 -28.21 60.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 0.0 109.78 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.81 -13.0 61.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.186 -0.946 . . . . 0.0 109.722 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 14' ' ' LEU . 12.6 mt -90.0 -36.69 14.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 0.0 109.689 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.81 -10.6 55.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.256 -0.902 . . . . 0.0 109.749 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.44 -4.88 28.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -144.89 62.11 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.216 -0.928 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.88 147.48 10.5 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.7 p -120.42 23.32 10.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.312 -1.11 . . . . 0.0 109.5 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -142.47 63.62 1.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.893 . . . . 0.0 109.406 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -171.86 27.98 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -96.71 18.13 15.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.196 -0.94 . . . . 0.0 109.137 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.03 -33.52 4.14 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -86.72 25.54 1.25 Allowed 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.283 -0.886 . . . . 0.0 109.855 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -81.03 -18.98 44.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.642 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -75.87 -38.61 57.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.0 109.563 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -21.4 66.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.905 . . . . 0.0 109.757 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.682 ' SD ' HD22 ' A' ' 11' ' ' LEU . 48.0 ttp -74.23 -21.24 59.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -59.36 -54.83 42.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 109.515 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.08 71.7 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.237 -0.915 . . . . 0.0 109.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -16.04 30.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.247 -0.908 . . . . 0.0 109.907 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -65.56 0.57 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.178 -0.951 . . . . 0.0 109.473 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 36' ' ' ILE . 63.2 mttt -64.41 -30.6 71.64 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.234 -0.916 . . . . 0.0 109.753 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.578 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.94 34.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.14 -0.975 . . . . 0.0 109.509 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 33' ' ' LYS . 73.0 mt -47.2 -34.23 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.916 . . . . 0.0 109.443 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.14 -69.96 0.39 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.851 . . . . 0.0 109.535 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -51.88 -22.8 4.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.928 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.819 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.8 p-90 -54.59 -33.32 60.15 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.337 -0.852 . . . . 0.0 109.876 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.819 HD12 ' NE1' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -54.82 -34.9 63.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.469 -0.769 . . . . 0.0 110.331 -178.679 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -35.75 69.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 109.47 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.3 -41.45 28.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 109.634 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 2.8 ppt_? -80.96 -2.89 49.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 110.035 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 3' ' ' LEU . 37.6 t -91.28 -41.06 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.152 -0.967 . . . . 0.0 109.621 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -62.33 -61.23 2.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.302 -0.874 . . . . 0.0 109.663 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 11.0 pt20 -48.74 -26.09 2.17 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.566 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 6.8 mm-40 -68.81 -64.03 0.95 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.185 -0.947 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.866 HD21 ' HG2' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.39 -12.16 40.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -82.9 -47.56 11.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.056 -1.027 . . . . 0.0 109.733 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.79 66.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.206 -0.933 . . . . 0.0 109.729 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.69 -65.54 0.68 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 109.485 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 pt-20 -63.29 -12.28 28.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.3 -25.3 22.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.86 53.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.23 -37.42 0.46 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 p 48.52 22.99 0.54 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.199 -1.177 . . . . 0.0 109.502 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 21' ' ' SER . 1.6 t70 -143.06 48.11 1.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.167 -0.958 . . . . 0.0 109.456 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 174.64 34.2 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.393 -0.817 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.537 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.4 t30 -90.19 18.2 6.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -0.878 . . . . 0.0 109.234 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.21 -38.87 2.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.575 -0.703 . . . . 0.0 109.54 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.88 -5.83 18.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.316 -0.865 . . . . 0.0 110.004 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mt -60.97 -47.23 87.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 109.682 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -38.72 91.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 0.0 109.626 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -8.59 53.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.232 -0.917 . . . . 0.0 109.628 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.866 ' HG2' HD21 ' A' ' 11' ' ' LEU . 11.6 tpt -71.7 -33.28 68.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.928 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.3 -35.0 59.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.604 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -58.21 9.29 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.265 -0.897 . . . . 0.0 109.808 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -22.43 61.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.652 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.89 -70.42 0.15 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.289 -0.882 . . . . 0.0 109.787 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -13.97 13.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.902 . . . . 0.0 109.886 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.92 70.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.761 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -86.03 -52.32 5.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.805 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.88 -21.37 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.179 -0.951 . . . . 0.0 109.697 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -55.43 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.129 -0.982 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 23.68 0.34 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.321 -0.862 . . . . 0.0 109.582 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.604 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 58.7 p-90 -57.65 -32.24 67.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.557 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 6' ' ' ARG . 5.1 tp -59.17 -32.97 70.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.7 -0.625 . . . . 0.0 109.462 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -36.21 58.08 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.88 -37.36 81.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.954 ' HB2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -49.59 -41.61 42.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 108.845 179.407 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 36' ' ' ILE . 46.8 t -75.23 -36.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.506 -0.746 . . . . 0.0 110.063 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -60.0 4.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 2.4 pt20 -55.51 -23.61 27.22 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.35 -0.844 . . . . 0.0 109.377 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 3.8 tt0 -69.19 -60.88 2.05 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.258 -0.901 . . . . 0.0 109.681 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -79.57 4.97 14.26 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.233 -0.917 . . . . 0.0 109.893 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -66.86 -64.25 0.89 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.9 -16.02 59.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.255 -0.903 . . . . 0.0 109.81 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.77 HD12 ' HE1' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.64 -40.02 88.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.0 109.583 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.609 ' HG3' HD11 ' A' ' 25' ' ' LEU . 3.4 tt0 -91.73 -42.49 10.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.84 75.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.432 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.01 67.46 1.47 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.876 . . . . 0.0 109.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' THR . . . -97.82 18.54 57.07 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 18' ' ' GLY . 2.3 t 39.64 74.04 0.1 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.549 -0.971 . . . . 0.0 109.865 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER 75.63 54.23 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.343 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' HD12 ' A' ' 25' ' ' LEU . 21.9 m -120.9 21.2 11.47 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.288 -0.882 . . . . 0.0 109.695 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.72 ' HA ' HD12 ' A' ' 25' ' ' LEU . 19.9 p30 -87.31 13.35 9.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.728 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.19 -45.69 2.1 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.625 -0.672 . . . . 0.0 109.369 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -76.73 1.4 17.27 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -56.04 -20.59 17.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 109.676 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -50.89 52.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.9 . . . . 0.0 109.499 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -26.35 22.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -0.896 . . . . 0.0 109.732 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.77 ' HE1' HD12 ' A' ' 14' ' ' LEU . 1.1 tpp -66.03 -41.34 91.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -38.34 64.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 109.767 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.09 3.58 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.202 -0.936 . . . . 0.0 110.021 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -68.66 -5.02 17.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.219 -0.926 . . . . 0.0 110.192 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.84 -73.32 0.25 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.026 -1.046 . . . . 0.0 110.047 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HA ' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.69 -8.6 28.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 110.006 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.4 -44.37 12.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.18 -28.62 34.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.949 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 33' ' ' LYS . 16.4 tt -76.96 -34.66 22.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.248 -0.908 . . . . 0.0 109.665 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 18.4 tt0 -49.37 -33.78 14.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.316 -0.865 . . . . 0.0 109.446 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER 168.05 58.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.417 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.968 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SIN . . . . . 0.558 ' H21' HD13 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.743 ' NE1' HD12 ' A' ' 3' ' ' LEU . 32.9 p-90 -59.13 -34.51 72.14 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.297 -0.877 . . . . 0.0 109.966 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -53.17 -24.66 11.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.508 -0.745 . . . . 0.0 110.485 -178.596 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -39.22 83.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.949 -1.095 . . . . 0.0 109.131 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.98 36.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.36 -0.837 . . . . 0.0 109.598 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.67 -18.77 46.94 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.0 109.446 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 3' ' ' LEU . 54.8 t -82.03 -36.4 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 121.086 -1.009 . . . . 0.0 109.202 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 11' ' ' LEU . 3.7 tp10 -59.02 -24.86 63.19 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.275 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -65.51 -63.0 1.2 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.316 -0.865 . . . . 0.0 109.733 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.5 mm-40 -51.78 -43.12 62.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.94 . . . . 0.0 109.589 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 8' ' ' GLU . 10.5 mt -54.81 -51.26 66.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.701 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.87 -22.05 66.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.196 -0.94 . . . . 0.0 109.528 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -72.29 -31.89 66.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.235 -0.915 . . . . 0.0 109.754 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -46.29 20.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.194 -0.941 . . . . 0.0 109.756 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -67.28 -26.61 66.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.935 . . . . 0.0 109.506 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.6 -10.64 57.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.225 -0.922 . . . . 0.0 109.616 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -145.38 58.54 1.27 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.123 -0.986 . . . . 0.0 109.601 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.77 131.96 3.83 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.9 p -112.48 8.37 19.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -1.149 . . . . 0.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.77 65.59 0.53 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.405 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.61 32.28 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.525 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-20 -94.1 21.69 6.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.216 -0.927 . . . . 0.0 109.198 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.13 -43.03 1.97 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.441 -0.787 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -25.92 42.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.251 -0.906 . . . . 0.0 109.364 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.3 mt -50.54 -41.2 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.255 -0.903 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' NH2' ' HB2' ' A' ' 25' ' ' LEU . 2.2 mmp_? -51.18 -51.09 57.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.23 -0.919 . . . . 0.0 109.159 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.6 71.54 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.269 -0.895 . . . . 0.0 109.436 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 tpp -61.98 -27.39 68.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -52.87 -50.58 63.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.188 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.52 93.28 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.24 -0.912 . . . . 0.0 109.349 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -26.22 60.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.36 -0.837 . . . . 0.0 109.595 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -61.11 -47.76 84.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.154 -0.966 . . . . 0.0 109.635 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.574 ' HA ' HD11 ' A' ' 36' ' ' ILE . 20.0 ttpt -61.3 -26.65 67.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.826 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.2 69.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.198 -0.939 . . . . 0.0 109.819 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -64.62 1.11 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.089 -1.007 . . . . 0.0 109.883 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.3 pt -46.88 -23.9 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 109.906 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -50.56 14.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.136 -0.978 . . . . 0.0 109.569 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -61.16 2.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.004 -1.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 121.098 0.475 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.678 ' CE2' HD22 ' A' ' 3' ' ' LEU . 37.1 p-90 -52.5 -23.29 5.97 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 109.874 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.961 ' O ' HG23 ' A' ' 7' ' ' VAL . 3.6 mm? -55.56 -46.7 77.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.913 . . . . 0.0 109.111 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -36.99 6.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.442 -0.787 . . . . 0.0 109.642 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.66 -40.89 55.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.943 . . . . 0.0 109.451 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.582 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.54 7.72 28.26 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.308 -0.87 . . . . 0.0 109.949 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 3' ' ' LEU . 54.4 t -89.33 -58.45 3.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.077 -1.014 . . . . 0.0 109.889 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -50.07 63.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.178 -0.951 . . . . 0.0 109.513 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -58.66 -29.11 66.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.0 109.819 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -56.29 7.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 110.141 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 14' ' ' LEU . 1.1 mt -85.82 19.91 2.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.108 -0.995 . . . . 0.0 110.257 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.499 ' HG3' ' N ' ' A' ' 13' ' ' ALA . 9.8 pt20 -75.88 -42.15 50.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.927 -1.108 . . . . 0.0 109.497 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' N ' ' HG3' ' A' ' 12' ' ' GLN . . . -78.76 -10.44 59.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.199 -0.938 . . . . 0.0 109.437 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -72.09 -45.68 59.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.903 . . . . 0.0 109.437 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 0.8 OUTLIER -73.36 -22.11 60.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.527 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -68.63 -30.7 69.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.24 -0.913 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.76 57.89 1.03 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.215 -0.928 . . . . 0.0 109.599 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.56 125.13 4.28 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -91.71 15.65 12.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -1.135 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -144.98 81.82 1.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.36 -0.837 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.14 -148.86 0.27 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 8.6 t-20 60.03 16.13 5.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.905 . . . . 0.0 109.419 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.02 -50.94 0.26 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.495 -0.753 . . . . 0.0 109.546 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.59 -4.78 55.39 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.385 -0.822 . . . . 0.0 109.873 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -45.58 -34.59 3.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 7.1 mmp_? -74.38 -46.14 42.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.516 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.17 20.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.16 -0.963 . . . . 0.0 109.599 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.84 -40.16 96.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 109.542 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.53 -38.46 81.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.174 -0.954 . . . . 0.0 109.537 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.45 2.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.267 -0.896 . . . . 0.0 109.806 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.8 mtmt -62.89 -18.41 62.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.918 . . . . 0.0 109.873 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.1 tt -51.15 -67.22 0.27 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.89 -18.35 8.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.603 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -73.71 -39.02 64.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -72.41 -52.4 16.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.1 pt -57.25 -33.13 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.174 -0.954 . . . . 0.0 109.616 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 27.9 tt0 -57.65 -56.55 20.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -0.901 . . . . 0.0 109.213 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -70.5 53.47 0.14 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.954 -1.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.266 0.555 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CE2' HD12 ' A' ' 3' ' ' LEU . 29.1 p-90 -63.56 -33.3 75.29 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.226 -0.921 . . . . 0.0 110.186 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -59.28 -17.51 29.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.291 -0.88 . . . . 0.0 110.428 -178.736 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -74.95 -31.81 61.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.962 -1.087 . . . . 0.0 108.973 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.2 -29.14 20.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.461 -0.774 . . . . 0.0 109.486 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.71 -17.62 31.34 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.247 -0.908 . . . . 0.0 109.831 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 3' ' ' LEU . 9.8 p -85.6 -26.13 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 O-C-N 121.228 -0.92 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -68.48 -49.7 57.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.446 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -44.69 78.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.265 -0.897 . . . . 0.0 109.711 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.5 -48.32 82.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.799 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 11' ' ' LEU . 70.7 mt -63.15 -13.49 37.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -0.873 . . . . 0.0 109.83 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.03 -18.8 65.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.987 . . . . 0.0 109.872 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -18.44 59.82 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.179 -0.95 . . . . 0.0 109.375 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -75.09 0.18 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.34 -0.85 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.21 -22.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -63.57 1.08 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.65 44.81 0.99 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.71 117.22 1.0 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -106.1 15.53 26.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -1.133 . . . . 0.0 109.483 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' SER . 32.2 t0 -116.02 62.38 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 40.3 t 177.34 37.09 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.583 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -91.1 16.25 10.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.48 -39.77 2.74 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.663 -0.648 . . . . 0.0 109.481 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.56 10.47 8.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.339 -0.85 . . . . 0.0 109.537 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.87 -32.12 60.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 109.493 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -43.6 40.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.882 . . . . 0.0 109.336 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.38 -12.74 60.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.23 -0.919 . . . . 0.0 109.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -31.49 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 109.401 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt-10 -59.74 -34.03 72.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.221 -0.924 . . . . 0.0 109.25 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.63 76.23 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.57 -20.42 64.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.312 -0.868 . . . . 0.0 109.665 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -56.22 -40.71 74.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.191 -0.943 . . . . 0.0 109.739 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.91 -31.21 64.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.725 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.12 74.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.935 . . . . 0.0 109.584 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -62.92 1.35 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 109.551 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.8 mp -50.6 -26.2 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.15 -0.969 . . . . 0.0 109.495 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ILE . 32.5 tt0 -45.08 -58.65 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -0.965 . . . . 0.0 109.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 3.7 tptp -64.19 -38.1 89.83 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.326 -0.859 . . . . 0.0 109.534 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.91 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.792 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.5 p-90 -50.75 -35.18 30.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.301 -0.875 . . . . 0.0 109.687 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.976 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -54.19 -42.58 69.89 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.485 -0.759 . . . . 0.0 109.696 -178.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -45.95 -38.73 7.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.95 33.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 109.654 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.04 4.74 11.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.134 -0.979 . . . . 0.0 110.04 -179.605 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 3' ' ' LEU . 52.7 t -86.95 -68.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.112 -0.992 . . . . 0.0 109.656 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' VAL . 5.4 tp10 -45.32 -41.16 8.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.181 -0.949 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.02 -47.86 81.25 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.302 -0.874 . . . . 0.0 109.466 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -48.25 68.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.612 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 14' ' ' LEU . 28.0 mt -57.13 -37.23 71.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.22 -0.925 . . . . 0.0 109.589 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -56.87 -37.84 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.78 63.05 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.276 -0.89 . . . . 0.0 109.694 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD12 HD23 ' A' ' 11' ' ' LEU . 97.2 mt -68.03 -34.19 76.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.669 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 -7.14 43.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.16 -0.963 . . . . 0.0 109.544 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.26 62.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.527 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.49 54.03 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.497 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.57 173.31 23.73 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.53 19.55 16.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -1.189 . . . . 0.0 109.387 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.27 51.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -79.33 -170.11 2.16 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.325 -0.86 . . . . 0.0 109.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 2.5 m120 57.57 17.17 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.18 -45.65 0.42 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.444 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' MET . 1.6 mm-40 -83.45 14.35 3.76 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.349 -0.844 . . . . 0.0 110.009 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.2 mt -71.33 -72.99 0.19 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.011 -1.056 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -39.62 83.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.339 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.62 88.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 109.534 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 2.0 ttp -70.6 -16.29 62.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.35 -35.9 82.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.539 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.32 70.93 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.191 -0.943 . . . . 0.0 109.784 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -84.0 -15.81 46.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.243 -0.911 . . . . 0.0 109.841 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.46 -66.43 0.39 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.744 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -64.63 -9.07 16.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.23 -25.58 42.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.405 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.85 -40.26 12.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.529 HG13 ' N ' ' A' ' 37' ' ' GLN . 43.2 pt -47.74 -34.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.514 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.529 ' N ' HG13 ' A' ' 36' ' ' ILE . 7.5 tt0 -51.13 -69.85 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.266 -0.897 . . . . 0.0 109.219 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -85.58 45.25 1.18 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.32 -0.863 . . . . 0.0 109.54 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.991 -1.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.1 t70 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 24.0 p-90 -57.47 -42.11 81.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.264 -0.897 . . . . 0.0 110.131 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -50.61 -27.39 6.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.37 -0.831 . . . . 0.0 109.894 -179.022 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -44.26 96.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.101 -0.999 . . . . 0.0 108.978 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.67 -32.06 60.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.473 -0.767 . . . . 0.0 109.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -86.82 -5.62 59.05 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.056 -1.028 . . . . 0.0 110.061 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 3' ' ' LEU . 10.9 t -89.68 -35.65 7.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.105 -0.997 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.32 -54.61 22.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.618 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 12.3 pt20 -62.85 -14.87 51.28 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.216 -0.927 . . . . 0.0 109.823 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 3.8 tm-20 -82.38 -51.0 8.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.193 -0.942 . . . . 0.0 109.757 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.23 -25.93 67.13 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.256 -0.902 . . . . 0.0 109.895 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -52.7 -20.27 3.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.143 -0.973 . . . . 0.0 109.503 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.56 67.98 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HG ' ' N ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -73.96 -21.39 60.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.2 tm-20 -92.49 -3.97 54.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 109.525 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.57 -18.89 39.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -173.71 81.42 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.6 -172.04 13.92 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.41 -104.52 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.234 -1.157 . . . . 0.0 109.409 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.36 53.31 2.44 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.176 -0.952 . . . . 0.0 109.435 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -86.0 19.04 2.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.24 -0.912 . . . . 0.0 109.946 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.572 ' HA ' HD12 ' A' ' 25' ' ' LEU . 6.6 m120 -90.89 22.9 3.39 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.096 -1.002 . . . . 0.0 109.339 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.0 -47.56 1.64 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 109.515 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LEU . 11.8 mm-40 -62.46 -12.29 21.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.238 -0.914 . . . . 0.0 109.572 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -43.38 -38.09 2.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -70.48 -46.71 63.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.168 -0.957 . . . . 0.0 109.258 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -5.94 32.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.293 -0.88 . . . . 0.0 109.415 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 26.0 ttp -74.18 -43.21 58.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.392 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.77 -35.53 77.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.918 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.08 -56.07 15.15 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.248 -0.908 . . . . 0.0 109.693 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 25.6 pttt -61.85 -15.88 45.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.257 -0.902 . . . . 0.0 109.638 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.97 -72.77 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 109.464 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.49 -5.29 23.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.35 -0.844 . . . . 0.0 109.789 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -82.4 -28.08 31.65 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.956 . . . . 0.0 109.447 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -88.16 -34.2 17.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.432 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 33' ' ' LYS . 2.4 pp -45.15 -33.16 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.707 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -51.11 -66.06 0.45 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -117.47 70.64 0.79 Allowed 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.172 -0.955 . . . . 0.0 109.522 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.981 -1.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' SIN . . . . . 0.58 ' O3 ' ' CD1' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.641 ' NE1' HD12 ' A' ' 3' ' ' LEU . 26.4 p-90 -45.66 -36.91 5.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.109 -0.994 . . . . 0.0 109.652 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.045 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -57.46 -47.74 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.539 -0.725 . . . . 0.0 109.53 -179.051 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -48.05 -29.79 3.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.936 . . . . 0.0 109.004 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.02 -36.94 27.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.336 -0.852 . . . . 0.0 109.502 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.532 ' NE ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.36 4.79 47.78 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.714 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 3' ' ' LEU . 66.3 t -91.08 -46.68 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.18 -0.95 . . . . 0.0 109.748 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -25.49 20.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.346 -0.846 . . . . 0.0 109.722 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.72 -43.78 71.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.272 -0.892 . . . . 0.0 109.416 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.77 -57.06 12.24 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.585 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.619 HD11 HG12 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -58.21 -33.77 69.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.682 -179.78 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.25 -31.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.158 -0.964 . . . . 0.0 109.496 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.8 73.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -20.65 62.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.442 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.8 -13.94 17.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.376 -0.828 . . . . 0.0 109.476 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.33 60.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.608 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.41 44.67 2.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.0 109.477 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.86 161.93 33.69 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 19' ' ' THR . 11.3 t -128.22 40.03 3.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.267 -1.137 . . . . 0.0 109.359 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.76 74.54 0.94 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 0.0 109.333 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t 179.61 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.255 -0.903 . . . . 0.0 109.428 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -103.11 23.38 12.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.439 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.95 -43.94 1.49 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -72.59 -2.1 18.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 28' ' ' MET . 34.5 mt -50.45 -23.28 2.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.7 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -34.06 16.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 109.568 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.54 60.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 110.004 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 21.5 ptt? -67.68 -28.06 67.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -0.996 . . . . 0.0 109.756 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.79 -38.68 79.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.881 . . . . 0.0 109.823 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.36 -54.68 37.22 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.178 -0.952 . . . . 0.0 109.757 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.39 75.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.876 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.887 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.2 tp -54.77 -49.36 71.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.737 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.33 -24.99 68.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.879 -179.663 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.28 52.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.951 . . . . 0.0 109.664 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.94 -37.67 54.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.953 . . . . 0.0 109.791 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -49.31 -35.31 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.551 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -61.18 2.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.877 . . . . 0.0 109.477 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -50.53 -69.33 0.12 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.514 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.959 -1.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 4' ' ' LYS . 4.4 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.131 0.491 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.742 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.2 p-90 -52.8 -34.01 51.61 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.163 -0.96 . . . . 0.0 109.925 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.009 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -55.68 -39.57 71.15 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.92 -178.713 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER -52.18 -34.37 44.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -33.32 33.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.95 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.542 ' CG ' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.94 0.42 57.09 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.076 -1.015 . . . . 0.0 110.149 -179.499 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 3' ' ' LEU . 99.5 t -90.29 -66.42 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 120.986 -1.071 . . . . 0.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLN . 5.7 pt-20 -49.29 -36.73 21.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.75 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 1.3 tt0 -57.42 -49.56 75.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.235 -0.916 . . . . 0.0 109.478 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.5 77.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.815 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD22 ' CE ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -84.16 7.06 20.16 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.179 -0.951 . . . . 0.0 110.073 -179.472 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 8' ' ' GLU . 2.2 mt-30 -77.3 -51.4 10.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.057 -1.027 . . . . 0.0 109.474 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -57.07 -23.65 48.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.228 -0.92 . . . . 0.0 109.552 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.21 -48.66 78.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 0.0 109.646 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -86.0 -8.15 58.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.34 54.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.282 -0.886 . . . . 0.0 109.54 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.532 ' NH1' ' HB1' ' A' ' 13' ' ' ALA . 6.4 mtt180 -103.15 51.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.211 -0.931 . . . . 0.0 109.516 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.25 106.75 0.22 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.8 p -89.49 25.73 1.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.237 -1.154 . . . . 0.0 109.586 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -107.2 52.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 109.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.79 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -88.06 15.7 7.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.338 -0.851 . . . . 0.0 109.646 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.34 -42.87 2.22 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -77.84 2.25 17.81 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.201 -0.937 . . . . 0.0 109.861 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.02 -34.89 45.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.969 . . . . 0.0 109.443 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -71.0 -42.62 69.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.63 -29.7 68.2 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.294 -0.878 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.693 ' CE ' HD22 ' A' ' 11' ' ' LEU . 7.3 tpt -63.3 -31.27 72.37 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 109.397 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.57 -44.57 90.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -56.93 14.91 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 109.419 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -23.85 66.46 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.254 -0.904 . . . . 0.0 109.453 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.11 -49.52 73.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.847 . . . . 0.0 109.614 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.65 33.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.585 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.42 -37.72 80.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 109.52 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -70.95 -43.19 68.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 0.0 109.635 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.12 -43.23 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.619 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -69.5 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -54.29 -12.91 0.74 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.229 -0.919 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.932 -1.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.788 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 34.1 p-90 -56.29 -27.1 54.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.335 -0.853 . . . . 0.0 109.809 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.788 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -60.72 -35.93 77.57 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.123 -0.986 . . . . 0.0 109.607 -179.417 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' LEU . 1.9 pttm -47.86 -34.33 8.67 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.53 55.63 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.614 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.9 mmp_? -52.82 -35.52 57.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.432 -0.792 . . . . 0.0 109.393 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.05 -25.1 5.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.29 -0.882 . . . . 0.0 110.033 -179.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.98 -35.79 77.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.156 -0.965 . . . . 0.0 109.865 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.58 -51.3 60.78 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.82 -44.68 96.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.232 -0.917 . . . . 0.0 109.672 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.73 -13.7 61.8 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 109.88 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.97 -39.85 83.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.679 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.87 73.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.298 -0.877 . . . . 0.0 109.8 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.15 -46.7 76.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.152 -0.968 . . . . 0.0 109.694 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.08 -39.49 66.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 109.524 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.57 75.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -118.76 45.31 2.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 0.0 109.581 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.8 -0.35 42.34 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.19 73.06 0.34 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.169 -1.195 . . . . 0.0 109.42 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 t70 55.95 49.84 15.07 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 109.48 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 p -86.69 53.37 2.79 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -101.41 15.18 29.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.207 -0.933 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 -48.67 2.23 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.66 -0.65 . . . . 0.0 109.444 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.16 -8.38 30.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.314 -0.866 . . . . 0.0 109.727 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.4 mt -47.4 -34.49 7.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -49.32 76.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.193 -0.942 . . . . 0.0 109.494 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.78 72.6 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 0.0 109.659 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.06 -26.22 65.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.499 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -70.25 -36.68 74.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.897 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.246 -0.909 . . . . 0.0 109.638 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -57.92 -23.92 55.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 109.862 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -61.38 2.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.135 -0.978 . . . . 0.0 109.73 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.877 ' HA ' HD12 ' A' ' 36' ' ' ILE . 2.8 tttt -56.91 -28.08 61.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -65.59 -34.42 78.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.191 -0.943 . . . . 0.0 109.605 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.74 -48.29 26.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 109.687 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 33' ' ' LYS . 4.8 mt -50.77 -32.92 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.246 -0.909 . . . . 0.0 109.452 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -51.51 69.5 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -66.42 -87.53 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.27 -0.893 . . . . 0.0 109.573 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.931 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.238 0.542 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.764 ' CE2' HD12 ' A' ' 3' ' ' LEU . 30.1 p-90 -53.11 -30.51 36.98 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.176 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.764 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -58.37 -38.5 77.4 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.095 -1.003 . . . . 0.0 109.71 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -45.65 -36.71 5.03 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.93 62.61 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -51.55 -30.41 20.54 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.2 t -83.24 -39.36 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.461 -0.775 . . . . 0.0 110.004 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -55.74 30.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.148 -0.97 . . . . 0.0 109.342 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -55.93 -25.41 43.17 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.208 -0.932 . . . . 0.0 109.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -64.44 0.86 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.375 -0.828 . . . . 0.0 109.756 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -77.89 3.5 14.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.232 -0.917 . . . . 0.0 109.953 -179.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.6 mt-30 -74.05 -56.9 4.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.584 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.28 -0.887 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.3 -57.45 6.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.145 -0.972 . . . . 0.0 109.588 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.33 -15.44 63.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -68.9 -28.72 66.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.0 109.451 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -130.88 32.16 4.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.368 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.26 111.44 1.43 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.42 44.75 1.0 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -1.155 . . . . 0.0 109.357 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -161.44 55.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.678 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.45 36.21 0.06 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.156 -0.965 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -87.6 14.16 8.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.665 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.41 -43.11 2.19 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.593 -0.692 . . . . 0.0 109.555 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.8 -10.7 39.97 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 109.685 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 18.7 mt -52.67 -45.11 66.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' NH2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.07 -61.99 2.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.717 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.84 -25.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.878 . . . . 0.0 109.833 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 ttm -70.69 -55.35 8.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -46.05 -34.96 4.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.641 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.83 10.97 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.167 -0.958 . . . . 0.0 109.766 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -60.77 -22.2 63.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 109.765 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.5 tp -48.09 -70.8 0.08 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 0.0 109.849 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.944 ' HA ' HD12 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 109.794 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -52.54 -35.45 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.264 -0.897 . . . . 0.0 109.746 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.46 -41.18 61.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.781 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 33' ' ' LYS . 50.1 mt -54.43 -22.15 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.8 tt0 -85.39 42.15 0.93 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 109.86 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.903 . . . . 0.0 109.53 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 6' ' ' ARG . 29.5 p-90 -62.52 -27.74 69.36 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.165 -0.96 . . . . 0.0 109.43 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 1.16 HD13 ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -60.49 -22.72 63.85 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.319 -0.863 . . . . 0.0 109.34 -178.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.16 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.15 -38.05 70.35 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.418 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.15 72.7 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -60.48 -37.76 82.06 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 HD22 ' A' ' 3' ' ' LEU . 3.3 t -75.67 -45.37 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.466 -0.771 . . . . 0.0 109.685 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.39 -46.0 55.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.306 -0.871 . . . . 0.0 109.53 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.414 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 7.5 mm100 -60.05 -55.7 30.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.206 -0.934 . . . . 0.0 109.674 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.49 -40.73 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 109.89 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 25' ' ' LEU . 6.2 mt -69.7 -38.74 77.08 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.1 tt0 -63.78 -26.14 68.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.105 -0.997 . . . . 0.0 109.778 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.46 -54.9 6.08 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -72.18 -4.45 29.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.943 . . . . 0.0 110.005 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 5.3 tt0 -115.35 -16.03 11.5 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.075 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -89.52 3.73 51.53 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.104 -0.998 . . . . 0.0 109.924 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' GLY . 8.9 mmm180 -143.54 22.73 1.82 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 109.847 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' ARG . . . 40.65 87.43 0.01 OUTLIER Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 19' ' ' THR . 10.1 t -147.28 81.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -1.172 . . . . 0.0 109.539 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 58.58 60.6 2.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.341 -0.85 . . . . 0.0 109.502 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.95 -157.09 0.29 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-80 60.02 15.47 5.1 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -0.85 . . . . 0.0 109.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.11 -53.75 0.39 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.473 -0.767 . . . . 0.0 109.492 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.83 7.17 9.24 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.312 -0.867 . . . . 0.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.529 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.9 mt -51.27 -30.92 19.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 29' ' ' GLU . 5.2 mmp_? -61.09 -43.32 99.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.486 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.82 62.68 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 ttm -58.61 -18.4 29.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 2.9 tt0 -68.57 -49.41 59.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.107 -0.996 . . . . 0.0 109.453 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.8 90.43 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 2.0 mttt -61.2 -20.24 62.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.2 tp -43.15 -69.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HA ' HG12 ' A' ' 36' ' ' ILE . 29.4 mttt -58.66 -27.42 64.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.852 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -53.63 -34.22 57.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.32 -41.61 39.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.189 -0.944 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' A' ' 33' ' ' LYS . 12.1 mm -51.45 -41.4 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.194 -0.941 . . . . 0.0 109.66 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -45.95 70.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.298 -0.876 . . . . 0.0 109.396 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mptt . . . . . 0 N--CA 1.487 1.405 0 O-C-N 121.263 -0.898 . . . . 0.0 109.584 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.612 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 34.2 p-90 -52.5 -25.45 10.31 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.055 -1.028 . . . . 0.0 109.516 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.606 ' CD2' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -55.46 -45.55 76.88 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LEU . 5.1 mtpt -40.94 -35.46 0.52 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.44 -47.71 59.38 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.612 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.0 mmp_? -53.5 -45.63 69.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 7' ' ' VAL . 2.1 t -71.29 -29.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.56 -0.712 . . . . 0.0 109.71 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -28.45 66.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.913 . . . . 0.0 109.237 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -52.06 31.25 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 4.0 mm-40 -59.81 -46.48 89.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.282 -0.886 . . . . 0.0 109.491 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.05 -24.81 64.85 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 109.409 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.817 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.36 -39.34 92.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.617 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -21.38 62.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.244 -0.91 . . . . 0.0 109.786 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 14' ' ' LEU . 1.9 tt -75.15 -60.58 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 109.638 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.21 -4.57 48.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 109.685 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.817 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -71.58 -45.63 61.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 19' ' ' THR . 3.5 ttm180 -87.45 41.47 0.98 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.79 -94.43 0.01 OUTLIER Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ARG . 7.9 m 64.6 28.53 13.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.186 -1.184 . . . . 0.0 109.237 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 47.53 47.05 17.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.239 -0.913 . . . . 0.0 109.27 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -108.6 13.19 25.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.456 -0.777 . . . . 0.0 109.524 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -88.38 21.19 2.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.609 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.42 -40.27 2.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.417 -0.802 . . . . 0.0 109.164 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -86.37 15.63 5.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.345 -0.847 . . . . 0.0 109.529 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 22' ' ' ASN . 20.5 mt -52.59 -26.59 13.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -0.865 . . . . 0.0 109.679 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 3.6 tpp180 -81.41 -33.15 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.611 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.88 -12.49 60.17 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.188 -0.945 . . . . 0.0 109.751 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -39.36 72.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.636 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -33.87 71.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 109.647 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.3 -64.25 1.02 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.233 -0.917 . . . . 0.0 109.802 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -59.29 -25.53 64.19 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.259 -0.901 . . . . 0.0 109.961 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 36' ' ' ILE . 11.3 tp -52.11 -53.78 38.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.128 -0.983 . . . . 0.0 109.527 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.83 -32.38 63.53 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.157 -0.964 . . . . 0.0 109.365 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.15 74.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' OE1' ' CG1' ' A' ' 7' ' ' VAL . 12.9 mt-10 -66.63 -51.05 60.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.356 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.5 mp -56.21 -35.68 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.554 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' LYS . 15.8 mt-30 -52.02 -56.63 13.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.474 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' GLN . 11.9 tttt . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.74 ' NE1' HD12 ' A' ' 3' ' ' LEU . 28.6 p-90 -48.99 -31.69 7.9 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.09 -1.006 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.938 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.84 -44.32 81.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 109.992 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -51.5 -31.06 22.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 109.011 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.73 -36.81 25.47 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.403 -0.811 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -90.49 7.01 41.09 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.23 -0.919 . . . . 0.0 109.931 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 3' ' ' LEU . 45.3 t -89.79 -48.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 O-C-N 121.107 -0.995 . . . . 0.0 109.525 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.64 -21.71 65.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -0.949 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 2.5 tt0 -74.58 -48.09 28.73 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.327 -0.858 . . . . 0.0 109.904 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 12.5 pt-20 -67.36 -34.79 78.03 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.197 -0.94 . . . . 0.0 109.863 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' HG3' ' A' ' 10' ' ' GLU . 15.0 mt -79.62 -15.01 58.39 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.099 -1.0 . . . . 0.0 109.966 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -58.47 -17.52 21.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.159 -0.963 . . . . 0.0 109.577 -179.706 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.36 0.68 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.237 -0.914 . . . . 0.0 109.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.1 mm? -55.4 -43.92 75.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 109.679 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.79 -28.71 65.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.956 . . . . 0.0 109.504 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -59.72 -36.3 76.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 0.0 109.419 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.25 67.33 0.78 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . -116.59 25.61 8.99 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.5 m 72.8 81.36 0.14 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -1.161 . . . . 0.0 109.472 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER 43.83 55.75 4.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.305 -0.872 . . . . 0.0 109.476 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.07 10.42 6.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.834 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.1 m120 -88.23 20.47 3.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.071 -1.018 . . . . 0.0 109.524 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.18 -47.13 2.49 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.408 -0.807 . . . . 0.0 109.106 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' LEU . 13.8 mm-40 -72.54 -12.41 61.06 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.366 -0.834 . . . . 0.0 109.372 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -44.96 -25.92 0.36 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.271 -0.893 . . . . 0.0 109.502 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -62.74 1.51 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.74 68.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.247 -0.908 . . . . 0.0 109.563 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.43 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -59.28 -34.75 72.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.474 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE2' HD22 ' A' ' 32' ' ' LEU . 3.7 mm-40 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -54.82 40.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.346 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER -62.62 -19.66 64.0 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.296 -0.878 . . . . 0.0 109.42 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' OE2' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -61.14 -43.98 98.05 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.902 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.692 ' HE3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -54.69 -44.58 73.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.65 74.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.9 -42.24 97.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 0.0 109.311 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.692 HD12 ' HE3' ' A' ' 33' ' ' LYS . 67.5 mt -54.74 -56.27 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.228 -0.92 . . . . 0.0 109.393 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -51.32 -62.92 1.32 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.352 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mttp . . . . . 0 N--CA 1.487 1.42 0 O-C-N 121.253 -0.904 . . . . 0.0 109.481 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CZ2' ' HG ' ' A' ' 3' ' ' LEU . 24.9 p-90 -50.22 -37.5 35.75 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.198 -0.939 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.829 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -56.48 -41.99 77.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.903 -178.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -48.91 -34.65 13.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.106 -0.996 . . . . 0.0 108.837 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.36 -54.0 12.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.368 -0.833 . . . . 0.0 109.631 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.798 ' HD2' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -75.74 2.59 11.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.97 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 3' ' ' LEU . 37.8 t -90.63 -35.54 7.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.071 -1.018 . . . . 0.0 109.631 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.4 mt-10 -65.54 -48.08 73.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.246 -0.909 . . . . 0.0 109.497 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.92 86.78 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 109.713 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -45.92 90.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.567 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.69 HD23 ' HE3' ' A' ' 28' ' ' MET . 8.6 mt -57.36 -39.89 76.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -21.97 55.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.309 -0.87 . . . . 0.0 109.505 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -65.07 -29.25 70.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -32.66 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 0.0 109.504 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' HD21 ' A' ' 25' ' ' LEU . 5.7 tp10 -63.84 -49.12 74.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -8.86 29.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 0.0 109.588 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 9.0 mtp180 -104.63 33.85 3.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.183 -0.948 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.75 142.23 3.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p -114.15 7.8 16.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.332 -1.099 . . . . 0.0 109.429 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.35 56.93 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 109.281 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HD11 ' A' ' 25' ' ' LEU . 29.9 t -177.4 30.9 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.28 -0.887 . . . . 0.0 109.564 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 12.7 p30 -92.02 14.26 16.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.24 -26.75 9.01 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.685 -0.634 . . . . 0.0 109.444 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.18 12.15 12.33 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.267 -0.896 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.601 HD21 ' OE1' ' A' ' 15' ' ' GLU . 6.1 mp -63.92 -18.9 64.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.11 -0.993 . . . . 0.0 109.472 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.87 52.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.199 -0.938 . . . . 0.0 109.497 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.38 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.69 ' HE3' HD23 ' A' ' 11' ' ' LEU . 2.5 ptt? -67.83 -16.76 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.0 -41.8 95.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.322 -0.861 . . . . 0.0 109.844 -179.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.77 -65.88 0.62 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.168 -0.958 . . . . 0.0 109.759 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -53.66 -25.77 19.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.555 HD11 HG13 ' A' ' 7' ' ' VAL . 17.9 tp -53.24 -69.94 0.1 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.657 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.81 -12.78 11.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.919 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 -29.9 41.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.875 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 28.4 tt0 -89.1 -29.3 19.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.077 -1.014 . . . . 0.0 109.836 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 33' ' ' LYS . 1.7 pp -45.31 -32.17 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.15 -0.968 . . . . 0.0 109.59 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -61.92 -60.18 4.01 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 109.593 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.222 0.534 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.666 ' CE3' ' HD3' ' A' ' 6' ' ' ARG . 16.5 p-90 -50.45 -40.23 50.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.265 -0.897 . . . . 0.0 110.005 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 1.001 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -60.6 -37.68 82.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.184 -178.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.08 -33.44 3.47 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -44.62 71.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.666 ' HD3' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.44 8.85 31.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.16 -0.962 . . . . 0.0 110.086 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 3' ' ' LEU . 83.5 t -87.32 -32.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.077 -1.014 . . . . 0.0 109.602 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -59.97 3.13 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 109.212 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.481 ' HA ' ' HB2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -50.02 -27.41 5.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.254 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.79 -65.58 0.66 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.292 -0.88 . . . . 0.0 109.813 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -79.56 6.41 10.56 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.247 -0.908 . . . . 0.0 109.993 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.481 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -67.33 -45.69 75.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 0.0 109.538 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -16.99 63.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.875 . . . . 0.0 109.623 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.05 -59.85 2.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.753 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.91 -5.1 44.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -86.96 -11.29 50.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.11 -0.994 . . . . 0.0 109.622 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 18' ' ' GLY . 3.2 mtm180 -92.54 25.27 3.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . 42.83 94.85 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -147.97 64.43 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 0.0 109.334 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' THR . 13.9 t0 43.1 45.71 4.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.331 -0.856 . . . . 0.0 109.361 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -86.02 3.78 40.79 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 109.611 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.7 t-20 -90.91 21.42 4.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.95 -43.55 1.07 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.373 -0.829 . . . . 0.0 109.693 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.5 18.88 2.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.252 -0.905 . . . . 0.0 109.894 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.4 mt -66.17 -31.59 72.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.054 -1.029 . . . . 0.0 109.53 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -79.35 -34.25 42.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 109.658 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.76 -25.94 56.94 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.24 -0.912 . . . . 0.0 109.883 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 11' ' ' LEU . 35.1 ttp -65.36 -29.78 70.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.228 -0.92 . . . . 0.0 109.788 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.69 -46.22 89.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.201 -0.937 . . . . 0.0 109.773 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -50.34 66.03 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -64.78 -12.88 52.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.889 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.783 HD11 HG11 ' A' ' 7' ' ' VAL . 65.3 tp -62.5 -45.82 91.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.6 tttp -76.02 2.71 12.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.311 -0.868 . . . . 0.0 110.056 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 -48.26 7.85 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.072 -1.017 . . . . 0.0 109.911 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -74.47 -22.94 58.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.861 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.521 HG23 ' N ' ' A' ' 37' ' ' GLN . 7.9 tt -66.82 -42.21 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.521 ' N ' HG23 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -49.13 -50.93 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.519 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 0.0 109.58 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 121.146 0.498 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.953 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 30.7 p-90 -54.51 -33.86 60.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.953 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.74 -36.4 72.02 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.177 -0.952 . . . . 0.0 109.689 -179.085 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -38.82 14.91 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.88 69.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.589 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -52.04 -35.74 48.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.174 179.191 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.2 t -80.14 -32.59 13.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.36 -60.73 2.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.903 . . . . 0.0 109.856 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -51.05 -33.02 23.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -0.902 . . . . 0.0 109.886 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.57 -56.84 10.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 0.0 109.938 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 HD22 ' A' ' 25' ' ' LEU . 82.1 mt -57.28 -21.9 37.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.961 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.6 -52.12 65.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.112 -0.993 . . . . 0.0 109.847 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.09 -28.34 57.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 109.93 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.58 99.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.199 -0.938 . . . . 0.0 109.75 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 5.1 pt-20 -78.9 -19.22 52.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.125 -0.984 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -48.37 -57.64 5.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.188 -0.945 . . . . 0.0 109.501 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -139.62 65.52 1.43 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.551 ' C ' HG22 ' A' ' 19' ' ' THR . . . -83.13 -116.74 0.57 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.551 HG22 ' C ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 170.15 89.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -1.133 . . . . 0.0 109.442 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER 62.65 63.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.305 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 m -177.67 41.86 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.243 -0.91 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -100.84 15.1 29.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.58 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.01 -39.9 2.67 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.647 -0.658 . . . . 0.0 109.475 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.18 -17.63 42.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 109.523 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.56 HD22 HD22 ' A' ' 11' ' ' LEU . 48.0 mt -53.96 -27.44 31.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.744 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -75.42 -40.9 57.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 109.492 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.83 -21.65 64.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.275 -0.891 . . . . 0.0 109.807 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -27.51 69.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.154 -0.966 . . . . 0.0 109.718 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 1.4 tt0 -54.04 -43.36 70.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -0.935 . . . . 0.0 109.764 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.17 76.09 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.936 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -15.59 58.07 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.183 -0.948 . . . . 0.0 110.178 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 HG11 ' A' ' 7' ' ' VAL . 26.1 tp -51.67 -38.93 57.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.094 -1.004 . . . . 0.0 109.589 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -64.52 -49.55 70.88 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 109.757 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.65 23.23 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.929 . . . . 0.0 109.752 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -82.28 -33.92 28.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.0 109.428 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.79 -28.73 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.654 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -52.94 -53.5 48.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.433 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mttp . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.43 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.793 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.1 p-90 -46.86 -35.14 6.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.173 -0.955 . . . . 0.0 109.717 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -55.81 -46.37 78.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE2' HD13 ' A' ' 36' ' ' ILE . 40.4 mttm -47.62 -33.99 7.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.035 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.12 -38.57 35.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.332 -0.855 . . . . 0.0 109.488 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.9 8.08 34.03 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.251 -0.906 . . . . 0.0 109.864 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.913 HG11 HD11 ' A' ' 32' ' ' LEU . 43.4 t -90.39 -72.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.115 -0.991 . . . . 0.0 109.291 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -48.49 -23.61 1.02 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.148 -0.97 . . . . 0.0 109.236 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 79.8 mt-30 -67.78 -54.22 20.91 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.269 -0.895 . . . . 0.0 109.75 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.2 pt-20 -62.32 -41.02 98.19 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.967 . . . . 0.0 109.667 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 13.1 mt -70.11 -18.6 63.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.267 -0.896 . . . . 0.0 109.811 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -59.22 -22.85 61.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.183 -0.948 . . . . 0.0 109.75 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.98 -62.08 1.69 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -15.44 63.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 109.243 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 2.1 mm-40 -74.21 -20.62 60.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.364 -0.835 . . . . 0.0 109.176 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.45 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.534 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.5 27.59 1.47 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.65 -136.19 24.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.806 -1.318 . . . . 0.0 109.806 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.2 p -108.5 61.36 0.61 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.599 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -149.0 68.43 1.05 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.216 -0.928 . . . . 0.0 109.54 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 167.36 38.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.279 -0.888 . . . . 0.0 109.605 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.517 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.1 t30 -93.1 20.51 6.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.381 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.46 -42.38 1.97 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.405 -0.81 . . . . 0.0 109.463 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.21 -22.68 52.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 3.6 mt -50.86 -34.92 30.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 0.0 109.643 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 10.3 mmp_? -75.22 -43.13 53.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.623 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.51 -7.74 34.99 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.244 -0.91 . . . . 0.0 109.755 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 tpt -74.51 -47.0 35.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 2.6 pt-20 -47.72 -24.1 0.86 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.22 -0.925 . . . . 0.0 109.561 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -69.31 0.28 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.268 -0.895 . . . . 0.0 109.673 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -64.73 -13.15 53.68 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.413 -0.804 . . . . 0.0 109.836 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.913 HD11 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -57.31 -50.45 72.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.703 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -14.95 59.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.133 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.52 37.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.58 -34.74 35.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.146 -0.971 . . . . 0.0 109.852 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 32' ' ' LEU . 63.1 mt -55.67 -20.74 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.659 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.1 -34.02 3.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.916 . . . . 0.0 109.597 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.427 0 O-C-N 121.249 -0.907 . . . . 0.0 109.485 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.671 ' NE1' HD12 ' A' ' 3' ' ' LEU . 24.9 p-90 -47.07 -36.0 7.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 0.0 110.026 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 1.009 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -57.1 -46.51 82.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -49.74 -29.65 8.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -38.66 24.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.585 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -88.67 4.32 47.62 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.167 -0.958 . . . . 0.0 109.938 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 3' ' ' LEU . 83.2 t -90.2 -42.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.06 -1.025 . . . . 0.0 109.474 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -60.06 -55.16 37.36 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.242 -0.911 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.54 -34.94 69.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -0.872 . . . . 0.0 109.263 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.26 -57.52 12.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.297 -0.877 . . . . 0.0 109.38 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.657 HD21 ' HE2' ' A' ' 28' ' ' MET . 1.8 mt -65.92 -10.9 43.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.307 -0.87 . . . . 0.0 109.478 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.95 -32.76 74.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.622 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.83 94.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.199 -0.938 . . . . 0.0 109.762 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -24.29 65.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.734 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.66 3.97 32.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.143 -0.973 . . . . 0.0 109.623 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.83 31.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.0 109.677 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.91 26.63 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.92 . . . . 0.0 109.503 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . 56.98 -115.05 5.98 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.3 m 76.63 51.13 0.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.285 -1.126 . . . . 0.0 109.361 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 48.79 49.8 18.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 p -114.68 -1.78 13.21 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' ' 25' ' ' LEU . 8.9 p30 -89.76 16.09 8.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.217 -0.927 . . . . 0.0 109.595 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.08 -45.16 2.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.633 -0.667 . . . . 0.0 109.419 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -78.88 -6.15 55.4 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -53.49 -31.41 45.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.906 . . . . 0.0 109.549 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -72.44 -46.71 53.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.166 -0.959 . . . . 0.0 109.394 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -15.32 63.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.405 -0.809 . . . . 0.0 109.653 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.657 ' HE2' HD21 ' A' ' 11' ' ' LEU . 9.1 tpt -69.11 -36.51 77.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 109.5 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 30' ' ' ALA . 16.6 pt-20 -49.47 -43.19 44.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.105 -0.997 . . . . 0.0 109.178 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 29' ' ' GLU . . . -64.19 -48.95 73.93 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.248 -0.908 . . . . 0.0 109.395 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -56.23 -25.75 48.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.304 -0.872 . . . . 0.0 109.667 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.99 -64.45 0.9 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.342 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -42.36 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.31 -0.869 . . . . 0.0 109.539 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.65 20.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.277 -0.89 . . . . 0.0 109.463 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 tt0 -77.38 -61.21 2.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.89 . . . . 0.0 109.398 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 36' ' ' ILE . 6.3 mm -44.31 -32.66 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.224 -0.922 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.07 -72.07 0.07 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.896 . . . . 0.0 109.336 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 109.483 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 26.4 p-90 -58.43 -37.12 74.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.214 -0.929 . . . . 0.0 109.418 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -56.55 -26.87 56.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.635 -0.665 . . . . 0.0 110.313 -178.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -64.02 -35.47 80.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.921 -1.112 . . . . 0.0 108.91 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -78.3 -49.0 14.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.365 -0.834 . . . . 0.0 109.174 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -71.3 -9.83 58.76 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 110.004 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 3' ' ' LEU . 12.8 t -90.73 -57.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.34 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 5' ' ' ALA . 22.7 pt-20 -46.59 -42.5 16.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.566 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 8' ' ' GLU . 2.0 tp60 -62.84 -49.33 75.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.309 -0.869 . . . . 0.0 109.773 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -36.64 64.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.886 . . . . 0.0 109.886 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 28' ' ' MET . 27.7 mt -73.17 -33.82 65.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.091 -1.006 . . . . 0.0 110.043 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.98 71.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.952 . . . . 0.0 109.962 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 -56.81 15.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 109.889 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.3 -11.94 60.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' A' ' 25' ' ' LEU . 3.9 mm-40 -94.7 -12.29 27.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.438 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.36 -46.87 73.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 0.0 109.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -156.77 65.77 0.53 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . -90.42 40.92 2.97 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 71.7 p 47.64 75.66 0.13 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -1.153 . . . . 0.0 109.603 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' THR . 2.9 t70 75.91 52.84 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.31 20.49 8.13 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.23 -0.919 . . . . 0.0 109.654 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -91.87 24.85 3.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.929 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.75 -45.66 1.75 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.408 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -59.81 -15.38 20.31 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.285 -0.884 . . . . 0.0 109.407 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 22.6 mt -44.73 -30.37 0.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.0 109.542 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HG2' ' NH1' ' A' ' 26' ' ' ARG . 7.6 mmp_? -70.32 -48.48 56.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -13.59 15.0 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.769 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.473 ' CG ' HD13 ' A' ' 11' ' ' LEU . 15.6 ttp -63.07 -40.76 98.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 0.0 109.78 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -47.74 79.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.246 -0.909 . . . . 0.0 109.807 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.34 84.49 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.241 -0.912 . . . . 0.0 110.013 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -63.58 -33.21 75.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.2 -0.937 . . . . 0.0 110.014 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -54.18 -59.67 4.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 109.642 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -59.55 -20.09 53.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.719 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.36 -32.98 74.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.165 -0.959 . . . . 0.0 109.736 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.43 -63.26 1.32 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.757 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.4 pt -49.12 -34.75 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.21 -0.931 . . . . 0.0 109.645 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.0 mm-40 -45.41 -63.6 0.91 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.0 109.372 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 O-C-N 121.226 -0.921 . . . . 0.0 109.472 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.227 0.537 . . . . 0.0 109.657 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.917 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 28.4 p-90 -54.16 -33.23 57.47 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 110.134 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.917 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -56.42 -37.1 69.73 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.194 -0.941 . . . . 0.0 109.775 -179.144 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.42 -40.15 11.69 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.14 -40.26 74.91 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -52.29 -34.46 46.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 0.0 109.197 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.3 t -82.95 -31.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 121.537 -0.727 . . . . 0.0 110.081 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.55 -60.77 2.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.734 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 1.1 mt-30 -49.86 -36.19 26.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.938 . . . . 0.0 109.695 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.19 -58.48 8.47 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.691 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.5 mt -65.34 -14.93 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.188 -0.945 . . . . 0.0 109.949 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -58.86 -46.7 87.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.067 -1.02 . . . . 0.0 109.292 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.15 65.83 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.2 -0.937 . . . . 0.0 109.328 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 14' ' ' LEU . 2.3 tp -62.19 -36.96 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.408 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -91.87 0.15 57.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 0.0 109.483 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 -19.97 60.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER 176.0 77.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.297 -0.877 . . . . 0.0 109.442 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' THR . . . -121.79 -84.22 0.73 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 179.5 93.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.176 -1.19 . . . . 0.0 109.643 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.51 55.43 6.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t -96.29 0.5 50.94 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.089 -1.007 . . . . 0.0 109.616 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 18.9 t30 -93.9 21.4 6.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.926 . . . . 0.0 109.477 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.9 -42.33 2.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.109 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.6 mt-10 -75.43 -0.48 20.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 109.605 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' CE ' ' A' ' 28' ' ' MET . 8.5 mt -43.08 -29.83 0.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 0.0 109.962 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -68.55 -60.87 2.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.132 -0.98 . . . . 0.0 109.416 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.64 -8.46 20.57 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.22 -0.925 . . . . 0.0 109.698 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.627 ' CE ' HD23 ' A' ' 25' ' ' LEU . 9.7 ttp -75.42 -44.86 42.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.143 -0.973 . . . . 0.0 109.566 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 13.1 pt-20 -53.53 -36.84 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 109.098 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.95 61.84 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.301 -0.874 . . . . 0.0 109.262 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -60.49 -21.06 61.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.333 -0.854 . . . . 0.0 109.429 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -62.35 -57.02 12.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.719 ' HA ' HD11 ' A' ' 36' ' ' ILE . 16.8 mttm -62.61 -28.68 70.06 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.675 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 37' ' ' GLN . . . -63.71 -46.67 84.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.97 . . . . 0.0 109.497 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -60.02 3.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -0.911 . . . . 0.0 109.523 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -55.66 -23.46 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.548 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -43.65 -40.52 4.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 0.0 109.615 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 0.0 109.439 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.209 0.528 . . . . 0.0 109.787 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.656 ' CE2' HD12 ' A' ' 3' ' ' LEU . 26.9 p-90 -59.65 -38.47 81.5 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.22 -0.925 . . . . 0.0 110.028 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.656 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -57.57 -21.85 41.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.795 . . . . 0.0 110.172 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.3 OUTLIER -69.08 -35.17 76.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.015 . . . . 0.0 108.884 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.1 -28.38 25.63 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.418 -0.801 . . . . 0.0 109.737 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.16 -10.31 44.97 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.088 -1.008 . . . . 0.0 110.198 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' HD12 ' A' ' 11' ' ' LEU . 9.7 p -90.54 -33.65 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.001 -1.062 . . . . 0.0 109.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -39.22 81.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 109.685 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -46.76 81.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.206 -0.934 . . . . 0.0 109.655 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -45.5 80.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.137 -0.977 . . . . 0.0 109.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 7' ' ' VAL . 6.8 mt -68.23 -9.58 48.21 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.749 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -73.71 -54.68 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.722 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.07 -19.9 61.96 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.3 -0.875 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.92 -44.92 37.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.632 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.42 -15.38 56.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 109.575 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.75 -46.94 23.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.2 -0.938 . . . . 0.0 109.486 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.05 51.04 0.86 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.68 179.14 21.89 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -121.69 19.02 11.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -1.131 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -165.04 51.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.2 m -68.93 -169.75 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 0.0 109.751 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.448 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.1 t30 54.8 19.35 2.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.437 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.85 -43.57 0.58 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.485 -0.759 . . . . 0.0 109.562 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 28' ' ' MET . 60.3 mm-40 -85.61 23.59 1.36 Allowed 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.227 -0.921 . . . . 0.0 110.067 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 22' ' ' ASN . 21.6 mt -78.98 -66.35 0.88 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.08 -1.013 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 8.0 mmp_? -60.53 -37.95 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 0.0 109.405 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.52 73.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.535 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 5.0 tmm? -65.67 -24.18 66.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.0 109.569 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.11 -50.2 69.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 -179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -58.9 4.79 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.827 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -20.14 13.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 24.1 tp -65.83 -48.89 70.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.918 . . . . 0.0 109.788 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -22.62 58.08 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.274 -0.891 . . . . 0.0 110.046 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.09 -28.88 39.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.107 -0.996 . . . . 0.0 110.002 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.95 -42.4 12.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.01 . . . . 0.0 109.678 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -55.85 -32.21 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.681 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.8 -38.13 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tttp . . . . . 0 N--CA 1.488 1.442 0 O-C-N 121.269 -0.894 . . . . 0.0 109.49 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.742 ' CE2' HD22 ' A' ' 3' ' ' LEU . 39.3 p-90 -55.25 -24.36 27.5 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.024 -1.047 . . . . 0.0 109.709 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.5 mm? -49.49 -40.92 39.19 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.277 -0.89 . . . . 0.0 109.069 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -43.79 64.04 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.515 -0.741 . . . . 0.0 109.543 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.52 -45.33 65.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.556 ' CG ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -76.02 -2.33 30.1 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.091 -1.006 . . . . 0.0 109.984 -179.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 3' ' ' LEU . 45.4 t -90.2 -54.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.172 -0.955 . . . . 0.0 109.305 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.09 -33.14 74.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.0 109.172 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -29.95 70.4 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.318 -0.864 . . . . 0.0 109.459 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -59.25 2.84 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.321 -0.862 . . . . 0.0 109.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.682 HD22 ' SD ' ' A' ' 28' ' ' MET . 1.2 mt -59.01 -25.54 63.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.227 -0.92 . . . . 0.0 109.775 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -74.45 -28.21 60.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 0.0 109.78 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.81 -13.0 61.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.186 -0.946 . . . . 0.0 109.722 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 14' ' ' LEU . 12.6 mt -90.0 -36.69 14.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 0.0 109.689 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.81 -10.6 55.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.256 -0.902 . . . . 0.0 109.749 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.44 -4.88 28.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -144.89 62.11 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.216 -0.928 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.88 147.48 10.5 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.7 p -120.42 23.32 10.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.312 -1.11 . . . . 0.0 109.5 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -142.47 63.62 1.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.893 . . . . 0.0 109.406 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -171.86 27.98 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -96.71 18.13 15.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.196 -0.94 . . . . 0.0 109.137 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.03 -33.52 4.14 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -86.72 25.54 1.25 Allowed 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.283 -0.886 . . . . 0.0 109.855 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -81.03 -18.98 44.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.642 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -75.87 -38.61 57.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.0 109.563 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -21.4 66.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.905 . . . . 0.0 109.757 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.682 ' SD ' HD22 ' A' ' 11' ' ' LEU . 48.0 ttp -74.23 -21.24 59.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -59.36 -54.83 42.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 109.515 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.08 71.7 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.237 -0.915 . . . . 0.0 109.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -16.04 30.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.247 -0.908 . . . . 0.0 109.907 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -65.56 0.57 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.178 -0.951 . . . . 0.0 109.473 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 36' ' ' ILE . 63.2 mttt -64.41 -30.6 71.64 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.234 -0.916 . . . . 0.0 109.753 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.578 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.94 34.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.14 -0.975 . . . . 0.0 109.509 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 33' ' ' LYS . 73.0 mt -47.2 -34.23 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.916 . . . . 0.0 109.443 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.14 -69.96 0.39 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.851 . . . . 0.0 109.535 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mttm . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.566 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.819 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.8 p-90 -54.59 -33.32 60.15 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.337 -0.852 . . . . 0.0 109.876 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.819 HD12 ' NE1' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -54.82 -34.9 63.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.469 -0.769 . . . . 0.0 110.331 -178.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -35.75 69.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 109.47 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.3 -41.45 28.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 109.634 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 2.8 ppt_? -80.96 -2.89 49.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 110.035 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 3' ' ' LEU . 37.6 t -91.28 -41.06 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.152 -0.967 . . . . 0.0 109.621 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -62.33 -61.23 2.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.302 -0.874 . . . . 0.0 109.663 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 11.0 pt20 -48.74 -26.09 2.17 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.566 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 6.8 mm-40 -68.81 -64.03 0.95 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.185 -0.947 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.866 HD21 ' HG2' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.39 -12.16 40.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -82.9 -47.56 11.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.056 -1.027 . . . . 0.0 109.733 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.79 66.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.206 -0.933 . . . . 0.0 109.729 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.69 -65.54 0.68 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 109.485 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 pt-20 -63.29 -12.28 28.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.3 -25.3 22.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.86 53.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.23 -37.42 0.46 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 p 48.52 22.99 0.54 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.199 -1.177 . . . . 0.0 109.502 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 21' ' ' SER . 1.6 t70 -143.06 48.11 1.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.167 -0.958 . . . . 0.0 109.456 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 174.64 34.2 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.393 -0.817 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.537 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.4 t30 -90.19 18.2 6.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -0.878 . . . . 0.0 109.234 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.21 -38.87 2.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.575 -0.703 . . . . 0.0 109.54 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.88 -5.83 18.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.316 -0.865 . . . . 0.0 110.004 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mt -60.97 -47.23 87.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 109.682 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -38.72 91.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 0.0 109.626 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -8.59 53.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.232 -0.917 . . . . 0.0 109.628 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.866 ' HG2' HD21 ' A' ' 11' ' ' LEU . 11.6 tpt -71.7 -33.28 68.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.928 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.3 -35.0 59.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.604 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -58.21 9.29 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.265 -0.897 . . . . 0.0 109.808 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -22.43 61.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.652 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.89 -70.42 0.15 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.289 -0.882 . . . . 0.0 109.787 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -13.97 13.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.902 . . . . 0.0 109.886 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.92 70.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.761 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -86.03 -52.32 5.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.805 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.88 -21.37 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.179 -0.951 . . . . 0.0 109.697 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -55.43 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.129 -0.982 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.374 0 O-C-N 121.321 -0.862 . . . . 0.0 109.582 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.604 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 58.7 p-90 -57.65 -32.24 67.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.557 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 6' ' ' ARG . 5.1 tp -59.17 -32.97 70.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.7 -0.625 . . . . 0.0 109.462 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -36.21 58.08 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.88 -37.36 81.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.954 ' HB2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -49.59 -41.61 42.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 108.845 179.407 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 36' ' ' ILE . 46.8 t -75.23 -36.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.506 -0.746 . . . . 0.0 110.063 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -60.0 4.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 2.4 pt20 -55.51 -23.61 27.22 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.35 -0.844 . . . . 0.0 109.377 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 3.8 tt0 -69.19 -60.88 2.05 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.258 -0.901 . . . . 0.0 109.681 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -79.57 4.97 14.26 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.233 -0.917 . . . . 0.0 109.893 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -66.86 -64.25 0.89 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.9 -16.02 59.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.255 -0.903 . . . . 0.0 109.81 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.77 HD12 ' HE1' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.64 -40.02 88.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.0 109.583 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.609 ' HG3' HD11 ' A' ' 25' ' ' LEU . 3.4 tt0 -91.73 -42.49 10.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.84 75.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.432 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.01 67.46 1.47 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.876 . . . . 0.0 109.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' THR . . . -97.82 18.54 57.07 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 18' ' ' GLY . 2.3 t 39.64 74.04 0.1 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.549 -0.971 . . . . 0.0 109.865 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER 75.63 54.23 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.343 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' HD12 ' A' ' 25' ' ' LEU . 21.9 m -120.9 21.2 11.47 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.288 -0.882 . . . . 0.0 109.695 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.72 ' HA ' HD12 ' A' ' 25' ' ' LEU . 19.9 p30 -87.31 13.35 9.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.728 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.19 -45.69 2.1 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.625 -0.672 . . . . 0.0 109.369 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -76.73 1.4 17.27 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -56.04 -20.59 17.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 109.676 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -50.89 52.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.9 . . . . 0.0 109.499 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -26.35 22.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -0.896 . . . . 0.0 109.732 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.77 ' HE1' HD12 ' A' ' 14' ' ' LEU . 1.1 tpp -66.03 -41.34 91.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -38.34 64.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 109.767 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.09 3.58 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.202 -0.936 . . . . 0.0 110.021 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -68.66 -5.02 17.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.219 -0.926 . . . . 0.0 110.192 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.84 -73.32 0.25 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.026 -1.046 . . . . 0.0 110.047 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HA ' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.69 -8.6 28.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 110.006 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.4 -44.37 12.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.18 -28.62 34.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.949 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 33' ' ' LYS . 16.4 tt -76.96 -34.66 22.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.248 -0.908 . . . . 0.0 109.665 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 18.4 tt0 -49.37 -33.78 14.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.316 -0.865 . . . . 0.0 109.446 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.417 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.743 ' NE1' HD12 ' A' ' 3' ' ' LEU . 32.9 p-90 -59.13 -34.51 72.14 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.297 -0.877 . . . . 0.0 109.966 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -53.17 -24.66 11.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.508 -0.745 . . . . 0.0 110.485 -178.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -39.22 83.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.949 -1.095 . . . . 0.0 109.131 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.98 36.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.36 -0.837 . . . . 0.0 109.598 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.67 -18.77 46.94 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.0 109.446 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 3' ' ' LEU . 54.8 t -82.03 -36.4 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 121.086 -1.009 . . . . 0.0 109.202 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 11' ' ' LEU . 3.7 tp10 -59.02 -24.86 63.19 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.275 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -65.51 -63.0 1.2 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.316 -0.865 . . . . 0.0 109.733 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.5 mm-40 -51.78 -43.12 62.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.94 . . . . 0.0 109.589 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 8' ' ' GLU . 10.5 mt -54.81 -51.26 66.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.701 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.87 -22.05 66.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.196 -0.94 . . . . 0.0 109.528 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -72.29 -31.89 66.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.235 -0.915 . . . . 0.0 109.754 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -46.29 20.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.194 -0.941 . . . . 0.0 109.756 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -67.28 -26.61 66.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.935 . . . . 0.0 109.506 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.6 -10.64 57.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.225 -0.922 . . . . 0.0 109.616 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -145.38 58.54 1.27 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.123 -0.986 . . . . 0.0 109.601 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.77 131.96 3.83 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.9 p -112.48 8.37 19.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -1.149 . . . . 0.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.77 65.59 0.53 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.405 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.61 32.28 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.525 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-20 -94.1 21.69 6.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.216 -0.927 . . . . 0.0 109.198 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.13 -43.03 1.97 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.441 -0.787 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -25.92 42.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.251 -0.906 . . . . 0.0 109.364 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.3 mt -50.54 -41.2 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.255 -0.903 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.418 ' NH2' ' HB2' ' A' ' 25' ' ' LEU . 2.2 mmp_? -51.18 -51.09 57.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.23 -0.919 . . . . 0.0 109.159 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.6 71.54 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.269 -0.895 . . . . 0.0 109.436 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 tpp -61.98 -27.39 68.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -52.87 -50.58 63.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.188 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.52 93.28 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.24 -0.912 . . . . 0.0 109.349 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -26.22 60.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.36 -0.837 . . . . 0.0 109.595 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -61.11 -47.76 84.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.154 -0.966 . . . . 0.0 109.635 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.574 ' HA ' HD11 ' A' ' 36' ' ' ILE . 20.0 ttpt -61.3 -26.65 67.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.826 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.2 69.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.198 -0.939 . . . . 0.0 109.819 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -64.62 1.11 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.089 -1.007 . . . . 0.0 109.883 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.3 pt -46.88 -23.9 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 109.906 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -50.56 14.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.136 -0.978 . . . . 0.0 109.569 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 121.098 0.475 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.678 ' CE2' HD22 ' A' ' 3' ' ' LEU . 37.1 p-90 -52.5 -23.29 5.97 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 109.874 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.961 ' O ' HG23 ' A' ' 7' ' ' VAL . 3.6 mm? -55.56 -46.7 77.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.913 . . . . 0.0 109.111 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -36.99 6.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.442 -0.787 . . . . 0.0 109.642 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.66 -40.89 55.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.943 . . . . 0.0 109.451 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.582 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.54 7.72 28.26 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.308 -0.87 . . . . 0.0 109.949 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 3' ' ' LEU . 54.4 t -89.33 -58.45 3.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.077 -1.014 . . . . 0.0 109.889 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -50.07 63.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.178 -0.951 . . . . 0.0 109.513 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -58.66 -29.11 66.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.0 109.819 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -56.29 7.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 110.141 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 14' ' ' LEU . 1.1 mt -85.82 19.91 2.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.108 -0.995 . . . . 0.0 110.257 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.499 ' HG3' ' N ' ' A' ' 13' ' ' ALA . 9.8 pt20 -75.88 -42.15 50.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.927 -1.108 . . . . 0.0 109.497 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' N ' ' HG3' ' A' ' 12' ' ' GLN . . . -78.76 -10.44 59.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.199 -0.938 . . . . 0.0 109.437 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -72.09 -45.68 59.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.903 . . . . 0.0 109.437 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 0.8 OUTLIER -73.36 -22.11 60.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.527 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -68.63 -30.7 69.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.24 -0.913 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.76 57.89 1.03 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.215 -0.928 . . . . 0.0 109.599 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.56 125.13 4.28 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -91.71 15.65 12.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -1.135 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -144.98 81.82 1.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.36 -0.837 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.14 -148.86 0.27 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 8.6 t-20 60.03 16.13 5.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.905 . . . . 0.0 109.419 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.02 -50.94 0.26 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.495 -0.753 . . . . 0.0 109.546 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.59 -4.78 55.39 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.385 -0.822 . . . . 0.0 109.873 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -45.58 -34.59 3.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 7.1 mmp_? -74.38 -46.14 42.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.516 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.17 20.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.16 -0.963 . . . . 0.0 109.599 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.84 -40.16 96.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 109.542 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.53 -38.46 81.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.174 -0.954 . . . . 0.0 109.537 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.45 2.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.267 -0.896 . . . . 0.0 109.806 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.8 mtmt -62.89 -18.41 62.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.918 . . . . 0.0 109.873 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.1 tt -51.15 -67.22 0.27 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.89 -18.35 8.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.603 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -73.71 -39.02 64.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -72.41 -52.4 16.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.1 pt -57.25 -33.13 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.174 -0.954 . . . . 0.0 109.616 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 27.9 tt0 -57.65 -56.55 20.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -0.901 . . . . 0.0 109.213 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm . . . . . 0 N--CA 1.487 1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.266 0.555 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CE2' HD12 ' A' ' 3' ' ' LEU . 29.1 p-90 -63.56 -33.3 75.29 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.226 -0.921 . . . . 0.0 110.186 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -59.28 -17.51 29.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.291 -0.88 . . . . 0.0 110.428 -178.736 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -74.95 -31.81 61.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.962 -1.087 . . . . 0.0 108.973 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.2 -29.14 20.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.461 -0.774 . . . . 0.0 109.486 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.71 -17.62 31.34 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.247 -0.908 . . . . 0.0 109.831 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 3' ' ' LEU . 9.8 p -85.6 -26.13 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 O-C-N 121.228 -0.92 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -68.48 -49.7 57.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.446 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -44.69 78.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.265 -0.897 . . . . 0.0 109.711 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.5 -48.32 82.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.799 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 11' ' ' LEU . 70.7 mt -63.15 -13.49 37.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -0.873 . . . . 0.0 109.83 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.03 -18.8 65.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.987 . . . . 0.0 109.872 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -18.44 59.82 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.179 -0.95 . . . . 0.0 109.375 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -75.09 0.18 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.34 -0.85 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.21 -22.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -63.57 1.08 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.65 44.81 0.99 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.71 117.22 1.0 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -106.1 15.53 26.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -1.133 . . . . 0.0 109.483 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' SER . 32.2 t0 -116.02 62.38 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 40.3 t 177.34 37.09 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.583 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -91.1 16.25 10.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.48 -39.77 2.74 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.663 -0.648 . . . . 0.0 109.481 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.56 10.47 8.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.339 -0.85 . . . . 0.0 109.537 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.87 -32.12 60.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 109.493 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -43.6 40.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.882 . . . . 0.0 109.336 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.38 -12.74 60.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.23 -0.919 . . . . 0.0 109.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -31.49 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 109.401 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt-10 -59.74 -34.03 72.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.221 -0.924 . . . . 0.0 109.25 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.63 76.23 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.57 -20.42 64.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.312 -0.868 . . . . 0.0 109.665 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -56.22 -40.71 74.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.191 -0.943 . . . . 0.0 109.739 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.91 -31.21 64.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.725 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.12 74.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.935 . . . . 0.0 109.584 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -62.92 1.35 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 109.551 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.8 mp -50.6 -26.2 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.15 -0.969 . . . . 0.0 109.495 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ILE . 32.5 tt0 -45.08 -58.65 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -0.965 . . . . 0.0 109.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 3.7 tptp . . . . . 0 N--CA 1.487 1.396 0 O-C-N 121.326 -0.859 . . . . 0.0 109.534 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.792 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.5 p-90 -50.75 -35.18 30.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.301 -0.875 . . . . 0.0 109.687 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.976 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -54.19 -42.58 69.89 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.485 -0.759 . . . . 0.0 109.696 -178.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -45.95 -38.73 7.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.95 33.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 109.654 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.04 4.74 11.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.134 -0.979 . . . . 0.0 110.04 -179.605 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 3' ' ' LEU . 52.7 t -86.95 -68.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.112 -0.992 . . . . 0.0 109.656 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' VAL . 5.4 tp10 -45.32 -41.16 8.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.181 -0.949 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.02 -47.86 81.25 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.302 -0.874 . . . . 0.0 109.466 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -48.25 68.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.612 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 14' ' ' LEU . 28.0 mt -57.13 -37.23 71.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.22 -0.925 . . . . 0.0 109.589 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -56.87 -37.84 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.78 63.05 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.276 -0.89 . . . . 0.0 109.694 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.52 HD12 HD23 ' A' ' 11' ' ' LEU . 97.2 mt -68.03 -34.19 76.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.669 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 -7.14 43.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.16 -0.963 . . . . 0.0 109.544 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.26 62.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.527 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.49 54.03 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.497 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.57 173.31 23.73 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.53 19.55 16.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -1.189 . . . . 0.0 109.387 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.27 51.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -79.33 -170.11 2.16 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.325 -0.86 . . . . 0.0 109.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.563 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 2.5 m120 57.57 17.17 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.18 -45.65 0.42 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.444 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' MET . 1.6 mm-40 -83.45 14.35 3.76 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.349 -0.844 . . . . 0.0 110.009 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.2 mt -71.33 -72.99 0.19 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.011 -1.056 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -39.62 83.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.339 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.62 88.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 109.534 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 2.0 ttp -70.6 -16.29 62.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.35 -35.9 82.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.539 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.32 70.93 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.191 -0.943 . . . . 0.0 109.784 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -84.0 -15.81 46.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.243 -0.911 . . . . 0.0 109.841 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.46 -66.43 0.39 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.744 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -64.63 -9.07 16.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.23 -25.58 42.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.405 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.85 -40.26 12.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.529 HG13 ' N ' ' A' ' 37' ' ' GLN . 43.2 pt -47.74 -34.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.514 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.529 ' N ' HG13 ' A' ' 36' ' ' ILE . 7.5 tt0 -51.13 -69.85 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.266 -0.897 . . . . 0.0 109.219 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm . . . . . 0 C--N 1.305 -1.36 0 O-C-N 121.32 -0.863 . . . . 0.0 109.54 179.906 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.1 t70 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 24.0 p-90 -57.47 -42.11 81.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.264 -0.897 . . . . 0.0 110.131 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -50.61 -27.39 6.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.37 -0.831 . . . . 0.0 109.894 -179.022 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -44.26 96.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.101 -0.999 . . . . 0.0 108.978 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.67 -32.06 60.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.473 -0.767 . . . . 0.0 109.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -86.82 -5.62 59.05 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.056 -1.028 . . . . 0.0 110.061 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 3' ' ' LEU . 10.9 t -89.68 -35.65 7.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.105 -0.997 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.32 -54.61 22.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.618 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 12.3 pt20 -62.85 -14.87 51.28 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.216 -0.927 . . . . 0.0 109.823 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 3.8 tm-20 -82.38 -51.0 8.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.193 -0.942 . . . . 0.0 109.757 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.23 -25.93 67.13 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.256 -0.902 . . . . 0.0 109.895 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -52.7 -20.27 3.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.143 -0.973 . . . . 0.0 109.503 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.56 67.98 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HG ' ' N ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -73.96 -21.39 60.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.506 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.2 tm-20 -92.49 -3.97 54.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 109.525 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.57 -18.89 39.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -173.71 81.42 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.6 -172.04 13.92 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.41 -104.52 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.234 -1.157 . . . . 0.0 109.409 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.36 53.31 2.44 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.176 -0.952 . . . . 0.0 109.435 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -86.0 19.04 2.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.24 -0.912 . . . . 0.0 109.946 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.572 ' HA ' HD12 ' A' ' 25' ' ' LEU . 6.6 m120 -90.89 22.9 3.39 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.096 -1.002 . . . . 0.0 109.339 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.0 -47.56 1.64 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 109.515 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LEU . 11.8 mm-40 -62.46 -12.29 21.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.238 -0.914 . . . . 0.0 109.572 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -43.38 -38.09 2.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -70.48 -46.71 63.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.168 -0.957 . . . . 0.0 109.258 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -5.94 32.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.293 -0.88 . . . . 0.0 109.415 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 26.0 ttp -74.18 -43.21 58.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.392 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.77 -35.53 77.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.918 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.08 -56.07 15.15 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.248 -0.908 . . . . 0.0 109.693 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 25.6 pttt -61.85 -15.88 45.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.257 -0.902 . . . . 0.0 109.638 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.97 -72.77 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 109.464 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.49 -5.29 23.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.35 -0.844 . . . . 0.0 109.789 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -82.4 -28.08 31.65 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.956 . . . . 0.0 109.447 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -88.16 -34.2 17.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.432 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 33' ' ' LYS . 2.4 pp -45.15 -33.16 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.707 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -51.11 -66.06 0.45 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm . . . . . 0 C--N 1.305 -1.339 0 O-C-N 121.172 -0.955 . . . . 0.0 109.522 -180.0 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.641 ' NE1' HD12 ' A' ' 3' ' ' LEU . 26.4 p-90 -45.66 -36.91 5.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.109 -0.994 . . . . 0.0 109.652 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 1.045 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -57.46 -47.74 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.539 -0.725 . . . . 0.0 109.53 -179.051 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -48.05 -29.79 3.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.936 . . . . 0.0 109.004 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.02 -36.94 27.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.336 -0.852 . . . . 0.0 109.502 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.532 ' NE ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.36 4.79 47.78 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.714 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 3' ' ' LEU . 66.3 t -91.08 -46.68 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.18 -0.95 . . . . 0.0 109.748 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -25.49 20.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.346 -0.846 . . . . 0.0 109.722 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.72 -43.78 71.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.272 -0.892 . . . . 0.0 109.416 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.77 -57.06 12.24 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.585 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.619 HD11 HG12 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -58.21 -33.77 69.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.682 -179.78 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.25 -31.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.158 -0.964 . . . . 0.0 109.496 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.8 73.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -20.65 62.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.442 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.8 -13.94 17.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.376 -0.828 . . . . 0.0 109.476 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.33 60.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.608 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.41 44.67 2.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.0 109.477 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.86 161.93 33.69 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 19' ' ' THR . 11.3 t -128.22 40.03 3.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.267 -1.137 . . . . 0.0 109.359 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.76 74.54 0.94 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 0.0 109.333 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t 179.61 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.255 -0.903 . . . . 0.0 109.428 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -103.11 23.38 12.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.439 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.95 -43.94 1.49 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -72.59 -2.1 18.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 28' ' ' MET . 34.5 mt -50.45 -23.28 2.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.7 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -34.06 16.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 109.568 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.54 60.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 110.004 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 21.5 ptt? -67.68 -28.06 67.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -0.996 . . . . 0.0 109.756 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.79 -38.68 79.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.881 . . . . 0.0 109.823 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.36 -54.68 37.22 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.178 -0.952 . . . . 0.0 109.757 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.39 75.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.876 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.887 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.2 tp -54.77 -49.36 71.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.737 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.33 -24.99 68.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.879 -179.663 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.28 52.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.951 . . . . 0.0 109.664 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.94 -37.67 54.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.953 . . . . 0.0 109.791 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -49.31 -35.31 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.551 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -61.18 2.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.877 . . . . 0.0 109.477 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tttt . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.514 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 4' ' ' LYS . 4.4 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.131 0.491 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.742 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.2 p-90 -52.8 -34.01 51.61 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.163 -0.96 . . . . 0.0 109.925 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 1.009 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -55.68 -39.57 71.15 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.92 -178.713 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER -52.18 -34.37 44.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -33.32 33.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.95 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.542 ' CG ' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.94 0.42 57.09 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.076 -1.015 . . . . 0.0 110.149 -179.499 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 3' ' ' LEU . 99.5 t -90.29 -66.42 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 120.986 -1.071 . . . . 0.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLN . 5.7 pt-20 -49.29 -36.73 21.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.75 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 1.3 tt0 -57.42 -49.56 75.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.235 -0.916 . . . . 0.0 109.478 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.5 77.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.815 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD22 ' CE ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -84.16 7.06 20.16 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.179 -0.951 . . . . 0.0 110.073 -179.472 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 8' ' ' GLU . 2.2 mt-30 -77.3 -51.4 10.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.057 -1.027 . . . . 0.0 109.474 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -57.07 -23.65 48.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.228 -0.92 . . . . 0.0 109.552 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.21 -48.66 78.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 0.0 109.646 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -86.0 -8.15 58.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.34 54.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.282 -0.886 . . . . 0.0 109.54 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.532 ' NH1' ' HB1' ' A' ' 13' ' ' ALA . 6.4 mtt180 -103.15 51.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.211 -0.931 . . . . 0.0 109.516 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.25 106.75 0.22 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.8 p -89.49 25.73 1.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.237 -1.154 . . . . 0.0 109.586 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -107.2 52.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 109.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.79 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -88.06 15.7 7.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.338 -0.851 . . . . 0.0 109.646 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.34 -42.87 2.22 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -77.84 2.25 17.81 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.201 -0.937 . . . . 0.0 109.861 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.02 -34.89 45.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.969 . . . . 0.0 109.443 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -71.0 -42.62 69.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.63 -29.7 68.2 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.294 -0.878 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.693 ' CE ' HD22 ' A' ' 11' ' ' LEU . 7.3 tpt -63.3 -31.27 72.37 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 109.397 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.57 -44.57 90.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -56.93 14.91 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 109.419 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -23.85 66.46 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.254 -0.904 . . . . 0.0 109.453 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.11 -49.52 73.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.847 . . . . 0.0 109.614 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.65 33.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.585 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.42 -37.72 80.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 109.52 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -70.95 -43.19 68.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 0.0 109.635 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.12 -43.23 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.619 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -69.5 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttp . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.229 -0.919 . . . . 0.0 109.492 -179.991 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.788 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 34.1 p-90 -56.29 -27.1 54.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.335 -0.853 . . . . 0.0 109.809 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.788 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -60.72 -35.93 77.57 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.123 -0.986 . . . . 0.0 109.607 -179.417 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' LEU . 1.9 pttm -47.86 -34.33 8.67 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.53 55.63 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.614 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.9 mmp_? -52.82 -35.52 57.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.432 -0.792 . . . . 0.0 109.393 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.05 -25.1 5.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.29 -0.882 . . . . 0.0 110.033 -179.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.98 -35.79 77.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.156 -0.965 . . . . 0.0 109.865 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.58 -51.3 60.78 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.82 -44.68 96.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.232 -0.917 . . . . 0.0 109.672 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.73 -13.7 61.8 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 109.88 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.97 -39.85 83.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.679 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.87 73.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.298 -0.877 . . . . 0.0 109.8 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.15 -46.7 76.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.152 -0.968 . . . . 0.0 109.694 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.08 -39.49 66.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 109.524 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.57 75.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -118.76 45.31 2.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 0.0 109.581 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.8 -0.35 42.34 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.19 73.06 0.34 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.169 -1.195 . . . . 0.0 109.42 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 t70 55.95 49.84 15.07 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 109.48 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 p -86.69 53.37 2.79 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -101.41 15.18 29.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.207 -0.933 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 -48.67 2.23 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.66 -0.65 . . . . 0.0 109.444 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.16 -8.38 30.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.314 -0.866 . . . . 0.0 109.727 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.4 mt -47.4 -34.49 7.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -49.32 76.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.193 -0.942 . . . . 0.0 109.494 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.78 72.6 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 0.0 109.659 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.06 -26.22 65.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.499 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -70.25 -36.68 74.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.897 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.246 -0.909 . . . . 0.0 109.638 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -57.92 -23.92 55.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 109.862 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -61.38 2.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.135 -0.978 . . . . 0.0 109.73 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.877 ' HA ' HD12 ' A' ' 36' ' ' ILE . 2.8 tttt -56.91 -28.08 61.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -65.59 -34.42 78.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.191 -0.943 . . . . 0.0 109.605 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.74 -48.29 26.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 109.687 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 33' ' ' LYS . 4.8 mt -50.77 -32.92 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.246 -0.909 . . . . 0.0 109.452 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -51.51 69.5 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 tttp . . . . . 0 N--CA 1.487 1.411 0 O-C-N 121.27 -0.893 . . . . 0.0 109.573 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.238 0.542 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.764 ' CE2' HD12 ' A' ' 3' ' ' LEU . 30.1 p-90 -53.11 -30.51 36.98 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.189 -0.944 . . . . 0.0 110.176 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.764 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -58.37 -38.5 77.4 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.095 -1.003 . . . . 0.0 109.71 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -45.65 -36.71 5.03 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.93 62.61 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -51.55 -30.41 20.54 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.2 t -83.24 -39.36 15.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 O-C-N 121.461 -0.775 . . . . 0.0 110.004 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -55.74 30.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.148 -0.97 . . . . 0.0 109.342 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -55.93 -25.41 43.17 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.208 -0.932 . . . . 0.0 109.096 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -64.44 0.86 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.375 -0.828 . . . . 0.0 109.756 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -77.89 3.5 14.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.232 -0.917 . . . . 0.0 109.953 -179.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.6 mt-30 -74.05 -56.9 4.37 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.161 -0.962 . . . . 0.0 109.584 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.28 -0.887 . . . . 0.0 109.856 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -67.3 -57.45 6.62 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.145 -0.972 . . . . 0.0 109.588 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.33 -15.44 63.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -68.9 -28.72 66.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.201 -0.937 . . . . 0.0 109.451 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -130.88 32.16 4.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.368 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.26 111.44 1.43 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.42 44.75 1.0 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -1.155 . . . . 0.0 109.357 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -161.44 55.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.678 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.45 36.21 0.06 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.156 -0.965 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -87.6 14.16 8.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.665 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.41 -43.11 2.19 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.593 -0.692 . . . . 0.0 109.555 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.8 -10.7 39.97 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.293 -0.879 . . . . 0.0 109.685 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 18.7 mt -52.67 -45.11 66.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 109.726 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' NH2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.07 -61.99 2.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.717 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.84 -25.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.296 -0.878 . . . . 0.0 109.833 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 ttm -70.69 -55.35 8.89 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.201 -0.937 . . . . 0.0 109.711 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -46.05 -34.96 4.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.641 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.83 10.97 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.167 -0.958 . . . . 0.0 109.766 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -60.77 -22.2 63.83 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 109.765 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.5 tp -48.09 -70.8 0.08 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.223 -0.923 . . . . 0.0 109.849 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.944 ' HA ' HD12 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -56.76 -33.32 66.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 109.794 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -52.54 -35.45 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.264 -0.897 . . . . 0.0 109.746 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.46 -41.18 61.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.247 -0.908 . . . . 0.0 109.781 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 33' ' ' LYS . 50.1 mt -54.43 -22.15 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 2.8 tt0 -85.39 42.15 0.93 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 109.86 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER 167.83 -50.51 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.254 -0.903 . . . . 0.0 109.53 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.971 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . 0.474 ' H31' ' HB3' ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 6' ' ' ARG . 29.5 p-90 -62.52 -27.74 69.36 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.165 -0.96 . . . . 0.0 109.43 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.16 HD13 ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -60.49 -22.72 63.85 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.319 -0.863 . . . . 0.0 109.34 -178.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.16 ' N ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -56.15 -38.05 70.35 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 178.418 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.15 72.7 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -60.48 -37.76 82.06 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 HD22 ' A' ' 3' ' ' LEU . 3.3 t -75.67 -45.37 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.466 -0.771 . . . . 0.0 109.685 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.39 -46.0 55.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.306 -0.871 . . . . 0.0 109.53 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.414 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 7.5 mm100 -60.05 -55.7 30.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.206 -0.934 . . . . 0.0 109.674 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.49 -40.73 12.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.313 -0.867 . . . . 0.0 109.89 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 25' ' ' LEU . 6.2 mt -69.7 -38.74 77.08 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.244 -0.91 . . . . 0.0 110.094 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.1 tt0 -63.78 -26.14 68.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.105 -0.997 . . . . 0.0 109.778 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.46 -54.9 6.08 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.183 -0.948 . . . . 0.0 109.891 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -72.18 -4.45 29.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.192 -0.943 . . . . 0.0 110.005 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 5.3 tt0 -115.35 -16.03 11.5 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.086 -1.009 . . . . 0.0 110.075 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 12' ' ' GLN . . . -89.52 3.73 51.53 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.104 -0.998 . . . . 0.0 109.924 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' GLY . 8.9 mmm180 -143.54 22.73 1.82 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 109.847 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' ARG . . . 40.65 87.43 0.01 OUTLIER Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 19' ' ' THR . 10.1 t -147.28 81.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -1.172 . . . . 0.0 109.539 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 58.58 60.6 2.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.341 -0.85 . . . . 0.0 109.502 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.95 -157.09 0.29 Allowed 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.218 -0.926 . . . . 0.0 109.712 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-80 60.02 15.47 5.1 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.34 -0.85 . . . . 0.0 109.348 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.11 -53.75 0.39 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.473 -0.767 . . . . 0.0 109.492 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -79.83 7.17 9.24 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.312 -0.867 . . . . 0.0 110.01 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.529 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.9 mt -51.27 -30.92 19.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.055 -1.028 . . . . 0.0 109.503 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' A' ' 29' ' ' GLU . 5.2 mmp_? -61.09 -43.32 99.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.252 -0.905 . . . . 0.0 109.486 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.74 -52.82 62.68 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.4 ttm -58.61 -18.4 29.91 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.276 -0.89 . . . . 0.0 109.757 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 2.9 tt0 -68.57 -49.41 59.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.107 -0.996 . . . . 0.0 109.453 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.8 90.43 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 2.0 mttt -61.2 -20.24 62.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 34.2 tp -43.15 -69.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.287 -0.883 . . . . 0.0 109.689 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HA ' HG12 ' A' ' 36' ' ' ILE . 29.4 mttt -58.66 -27.42 64.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.852 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -53.63 -34.22 57.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.776 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.32 -41.61 39.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.189 -0.944 . . . . 0.0 109.686 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' A' ' 33' ' ' LYS . 12.1 mm -51.45 -41.4 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.194 -0.941 . . . . 0.0 109.66 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -45.95 70.55 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.298 -0.876 . . . . 0.0 109.396 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -66.39 -54.59 22.59 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.263 -0.898 . . . . 0.0 109.584 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.612 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 34.2 p-90 -52.5 -25.45 10.31 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.055 -1.028 . . . . 0.0 109.516 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' CD2' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -55.46 -45.55 76.88 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LEU . 5.1 mtpt -40.94 -35.46 0.52 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.44 -47.71 59.38 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.612 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.0 mmp_? -53.5 -45.63 69.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 7' ' ' VAL . 2.1 t -71.29 -29.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.56 -0.712 . . . . 0.0 109.71 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -28.45 66.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.913 . . . . 0.0 109.237 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -52.06 31.25 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 4.0 mm-40 -59.81 -46.48 89.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.282 -0.886 . . . . 0.0 109.491 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 67.3 mt -60.05 -24.81 64.85 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.185 -0.947 . . . . 0.0 109.409 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.817 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.36 -39.34 92.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 109.617 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.52 -21.38 62.74 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.244 -0.91 . . . . 0.0 109.786 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 14' ' ' LEU . 1.9 tt -75.15 -60.58 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 109.638 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -78.21 -4.57 48.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.209 -0.932 . . . . 0.0 109.685 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.817 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -71.58 -45.63 61.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.0 109.564 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 19' ' ' THR . 3.5 ttm180 -87.45 41.47 0.98 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.0 109.503 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.79 -94.43 0.01 OUTLIER Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' ARG . 7.9 m 64.6 28.53 13.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.186 -1.184 . . . . 0.0 109.237 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 47.53 47.05 17.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.239 -0.913 . . . . 0.0 109.27 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -108.6 13.19 25.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.456 -0.777 . . . . 0.0 109.524 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -88.38 21.19 2.96 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.609 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.42 -40.27 2.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.417 -0.802 . . . . 0.0 109.164 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -86.37 15.63 5.2 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.345 -0.847 . . . . 0.0 109.529 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 22' ' ' ASN . 20.5 mt -52.59 -26.59 13.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.317 -0.865 . . . . 0.0 109.679 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 3.6 tpp180 -81.41 -33.15 32.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.916 . . . . 0.0 109.611 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.88 -12.49 60.17 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.188 -0.945 . . . . 0.0 109.751 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.98 -39.36 72.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.636 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -33.87 71.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 0.0 109.647 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.3 -64.25 1.02 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.233 -0.917 . . . . 0.0 109.802 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -59.29 -25.53 64.19 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.259 -0.901 . . . . 0.0 109.961 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 36' ' ' ILE . 11.3 tp -52.11 -53.78 38.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.128 -0.983 . . . . 0.0 109.527 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.83 -32.38 63.53 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.157 -0.964 . . . . 0.0 109.365 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.15 74.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.249 -0.907 . . . . 0.0 109.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' OE1' ' CG1' ' A' ' 7' ' ' VAL . 12.9 mt-10 -66.63 -51.05 60.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.199 -0.938 . . . . 0.0 109.356 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.5 mp -56.21 -35.68 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.892 . . . . 0.0 109.554 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' LYS . 15.8 mt-30 -52.02 -56.63 13.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.269 -0.894 . . . . 0.0 109.474 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' GLN . 11.9 tttt -44.34 -54.09 6.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.025 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . 0.561 ' O3 ' ' CB ' ' A' ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.561 ' CB ' ' O3 ' ' A' ' 0' ' ' SIN . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 121.139 0.495 . . . . 0.0 109.699 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.74 ' NE1' HD12 ' A' ' 3' ' ' LEU . 28.6 p-90 -48.99 -31.69 7.9 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.09 -1.006 . . . . 0.0 109.789 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.938 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -56.84 -44.32 81.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 109.992 -178.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -51.5 -31.06 22.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.119 -0.988 . . . . 0.0 109.011 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.73 -36.81 25.47 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.403 -0.811 . . . . 0.0 109.383 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -90.49 7.01 41.09 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.23 -0.919 . . . . 0.0 109.931 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 3' ' ' LEU . 45.3 t -89.79 -48.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 O-C-N 121.107 -0.995 . . . . 0.0 109.525 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.64 -21.71 65.36 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -0.949 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 2.5 tt0 -74.58 -48.09 28.73 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.327 -0.858 . . . . 0.0 109.904 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 12.5 pt-20 -67.36 -34.79 78.03 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.197 -0.94 . . . . 0.0 109.863 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' HG ' ' HG3' ' A' ' 10' ' ' GLU . 15.0 mt -79.62 -15.01 58.39 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.099 -1.0 . . . . 0.0 109.966 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.758 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -58.47 -17.52 21.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.159 -0.963 . . . . 0.0 109.577 -179.706 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.99 -66.36 0.68 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.237 -0.914 . . . . 0.0 109.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.1 mm? -55.4 -43.92 75.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 109.679 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -69.79 -28.71 65.97 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.171 -0.956 . . . . 0.0 109.504 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -59.72 -36.3 76.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.23 -0.919 . . . . 0.0 109.419 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.25 67.33 0.78 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . -116.59 25.61 8.99 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.457 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.5 m 72.8 81.36 0.14 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -1.161 . . . . 0.0 109.472 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.9 OUTLIER 43.83 55.75 4.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.305 -0.872 . . . . 0.0 109.476 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.07 10.42 6.7 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.834 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.1 m120 -88.23 20.47 3.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.071 -1.018 . . . . 0.0 109.524 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.18 -47.13 2.49 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.408 -0.807 . . . . 0.0 109.106 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' LEU . 13.8 mm-40 -72.54 -12.41 61.06 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.366 -0.834 . . . . 0.0 109.372 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -44.96 -25.92 0.36 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.271 -0.893 . . . . 0.0 109.502 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -62.74 1.51 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.74 68.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.247 -0.908 . . . . 0.0 109.563 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.43 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -59.28 -34.75 72.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.474 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE2' HD22 ' A' ' 32' ' ' LEU . 3.7 mm-40 -60.9 -42.12 97.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.432 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -54.82 40.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.288 -0.882 . . . . 0.0 109.346 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER -62.62 -19.66 64.0 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.296 -0.878 . . . . 0.0 109.42 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' OE2' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -61.14 -43.98 98.05 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.902 . . . . 0.0 109.481 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.692 ' HE3' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -54.69 -44.58 73.52 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.65 74.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 109.447 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.9 -42.24 97.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 0.0 109.311 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.692 HD12 ' HE3' ' A' ' 33' ' ' LYS . 67.5 mt -54.74 -56.27 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.228 -0.92 . . . . 0.0 109.393 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 39' ' ' NH2 . 27.5 tp60 -51.32 -62.92 1.32 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.352 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -68.52 53.44 0.08 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.253 -0.904 . . . . 0.0 109.481 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . 0.472 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.031 -1.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . 0.477 ' O2 ' HD13 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CZ2' ' HG ' ' A' ' 3' ' ' LEU . 24.9 p-90 -50.22 -37.5 35.75 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.198 -0.939 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.829 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -56.48 -41.99 77.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.903 -178.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -48.91 -34.65 13.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.106 -0.996 . . . . 0.0 108.837 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.36 -54.0 12.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.368 -0.833 . . . . 0.0 109.631 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.798 ' HD2' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -75.74 2.59 11.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.97 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 3' ' ' LEU . 37.8 t -90.63 -35.54 7.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 O-C-N 121.071 -1.018 . . . . 0.0 109.631 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 11' ' ' LEU . 7.4 mt-10 -65.54 -48.08 73.68 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.246 -0.909 . . . . 0.0 109.497 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -37.92 86.78 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.231 -0.918 . . . . 0.0 109.713 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -45.92 90.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.23 -0.919 . . . . 0.0 109.567 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.69 HD23 ' HE3' ' A' ' 28' ' ' MET . 8.6 mt -57.36 -39.89 76.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.782 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -21.97 55.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.309 -0.87 . . . . 0.0 109.505 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -65.07 -29.25 70.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.292 -0.88 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -32.66 44.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.366 -0.834 . . . . 0.0 109.504 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' HD21 ' A' ' 25' ' ' LEU . 5.7 tp10 -63.84 -49.12 74.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 109.589 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -8.86 29.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.22 -0.925 . . . . 0.0 109.588 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 9.0 mtp180 -104.63 33.85 3.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.183 -0.948 . . . . 0.0 109.601 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 155.75 142.23 3.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 p -114.15 7.8 16.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.332 -1.099 . . . . 0.0 109.429 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.35 56.93 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 109.281 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.468 ' O ' HD11 ' A' ' 25' ' ' LEU . 29.9 t -177.4 30.9 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.28 -0.887 . . . . 0.0 109.564 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 12.7 p30 -92.02 14.26 16.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 0.0 109.643 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.24 -26.75 9.01 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.685 -0.634 . . . . 0.0 109.444 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.18 12.15 12.33 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.267 -0.896 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD21 ' OE1' ' A' ' 15' ' ' GLU . 6.1 mp -63.92 -18.9 64.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.11 -0.993 . . . . 0.0 109.472 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.87 52.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.199 -0.938 . . . . 0.0 109.497 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.38 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.483 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.69 ' HE3' HD23 ' A' ' 11' ' ' LEU . 2.5 ptt? -67.83 -16.76 64.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.0 -41.8 95.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.322 -0.861 . . . . 0.0 109.844 -179.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.77 -65.88 0.62 Allowed 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.168 -0.958 . . . . 0.0 109.759 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -53.66 -25.77 19.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.555 HD11 HG13 ' A' ' 7' ' ' VAL . 17.9 tp -53.24 -69.94 0.1 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.657 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.81 -12.78 11.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.919 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.65 -29.9 41.1 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 109.875 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . 28.4 tt0 -89.1 -29.3 19.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.077 -1.014 . . . . 0.0 109.836 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 33' ' ' LYS . 1.7 pp -45.31 -32.17 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.15 -0.968 . . . . 0.0 109.59 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -61.92 -60.18 4.01 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 109.593 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -58.88 -26.12 63.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.287 -0.883 . . . . 0.0 109.569 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.012 -1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . 0.427 ' H32' HD11 ' A' ' 36' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 121.222 0.534 . . . . 0.0 109.731 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.666 ' CE3' ' HD3' ' A' ' 6' ' ' ARG . 16.5 p-90 -50.45 -40.23 50.01 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.265 -0.897 . . . . 0.0 110.005 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.001 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -60.6 -37.68 82.17 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.184 -178.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.08 -33.44 3.47 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.172 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -44.62 71.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.512 -0.742 . . . . 0.0 109.541 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.666 ' HD3' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.44 8.85 31.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.16 -0.962 . . . . 0.0 110.086 -179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 3' ' ' LEU . 83.5 t -87.32 -32.64 6.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 121.077 -1.014 . . . . 0.0 109.602 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -59.97 3.13 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 109.212 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.481 ' HA ' ' HB2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -50.02 -27.41 5.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.254 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.79 -65.58 0.66 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.292 -0.88 . . . . 0.0 109.813 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -79.56 6.41 10.56 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.247 -0.908 . . . . 0.0 109.993 -179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.481 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -67.33 -45.69 75.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.142 -0.974 . . . . 0.0 109.538 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.89 -16.99 63.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.301 -0.875 . . . . 0.0 109.623 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.05 -59.85 2.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.232 -0.918 . . . . 0.0 109.753 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.91 -5.1 44.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.222 -0.924 . . . . 0.0 109.795 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' GLN . . . -86.96 -11.29 50.99 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.11 -0.994 . . . . 0.0 109.622 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 18' ' ' GLY . 3.2 mtm180 -92.54 25.27 3.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 17' ' ' ARG . . . 42.83 94.85 0.01 OUTLIER Glycine 0 N--CA 1.492 2.402 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -147.97 64.43 1.11 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 0.0 109.334 179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' THR . 13.9 t0 43.1 45.71 4.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.331 -0.856 . . . . 0.0 109.361 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -86.02 3.78 40.79 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.418 -0.801 . . . . 0.0 109.611 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.7 t-20 -90.91 21.42 4.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.95 -43.55 1.07 Allowed 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.373 -0.829 . . . . 0.0 109.693 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.5 18.88 2.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.252 -0.905 . . . . 0.0 109.894 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.54 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 2.4 mt -66.17 -31.59 72.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.054 -1.029 . . . . 0.0 109.53 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -79.35 -34.25 42.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 109.658 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.76 -25.94 56.94 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.24 -0.912 . . . . 0.0 109.883 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 11' ' ' LEU . 35.1 ttp -65.36 -29.78 70.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.228 -0.92 . . . . 0.0 109.788 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.69 -46.22 89.15 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.201 -0.937 . . . . 0.0 109.773 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.32 -50.34 66.03 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -64.78 -12.88 52.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.889 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.783 HD11 HG11 ' A' ' 7' ' ' VAL . 65.3 tp -62.5 -45.82 91.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 0.0 109.676 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.6 tttp -76.02 2.71 12.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.311 -0.868 . . . . 0.0 110.056 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.16 -48.26 7.85 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.072 -1.017 . . . . 0.0 109.911 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -74.47 -22.94 58.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 109.861 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.521 HG23 ' N ' ' A' ' 37' ' ' GLN . 7.9 tt -66.82 -42.21 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.233 -0.917 . . . . 0.0 109.785 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' N ' HG23 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -49.13 -50.93 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.313 -0.867 . . . . 0.0 109.519 -179.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -68.87 0.33 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 0.0 109.58 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 121.146 0.498 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.953 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 30.7 p-90 -54.51 -33.86 60.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.953 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -57.74 -36.4 72.02 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.177 -0.952 . . . . 0.0 109.689 -179.085 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -38.82 14.91 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.88 69.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.589 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -52.04 -35.74 48.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.174 179.191 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.2 t -80.14 -32.59 13.83 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.453 -0.779 . . . . 0.0 109.988 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -63.36 -60.73 2.99 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.903 . . . . 0.0 109.856 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -51.05 -33.02 23.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -0.902 . . . . 0.0 109.886 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.57 -56.84 10.12 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.182 -0.949 . . . . 0.0 109.938 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 HD22 ' A' ' 25' ' ' LEU . 82.1 mt -57.28 -21.9 37.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.961 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.6 -52.12 65.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.112 -0.993 . . . . 0.0 109.847 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.09 -28.34 57.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 109.93 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -42.58 99.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.199 -0.938 . . . . 0.0 109.75 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 5.1 pt-20 -78.9 -19.22 52.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.125 -0.984 . . . . 0.0 109.566 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -48.37 -57.64 5.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.188 -0.945 . . . . 0.0 109.501 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -139.62 65.52 1.43 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.551 ' C ' HG22 ' A' ' 19' ' ' THR . . . -83.13 -116.74 0.57 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.551 HG22 ' C ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 170.15 89.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -1.133 . . . . 0.0 109.442 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER 62.65 63.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.305 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 m -177.67 41.86 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.243 -0.91 . . . . 0.0 109.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -100.84 15.1 29.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.277 -0.889 . . . . 0.0 109.58 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.01 -39.9 2.67 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.647 -0.658 . . . . 0.0 109.475 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.18 -17.63 42.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 109.523 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.56 HD22 HD22 ' A' ' 11' ' ' LEU . 48.0 mt -53.96 -27.44 31.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.273 -0.892 . . . . 0.0 109.744 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -75.42 -40.9 57.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.173 -0.954 . . . . 0.0 109.492 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.83 -21.65 64.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.275 -0.891 . . . . 0.0 109.807 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -27.51 69.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.154 -0.966 . . . . 0.0 109.718 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 1.4 tt0 -54.04 -43.36 70.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.205 -0.935 . . . . 0.0 109.764 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.17 76.09 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.214 -0.929 . . . . 0.0 109.936 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.97 -15.59 58.07 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.183 -0.948 . . . . 0.0 110.178 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 HG11 ' A' ' 7' ' ' VAL . 26.1 tp -51.67 -38.93 57.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.094 -1.004 . . . . 0.0 109.589 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -64.52 -49.55 70.88 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 109.757 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.65 23.23 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.214 -0.929 . . . . 0.0 109.752 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -82.28 -33.92 28.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.0 109.428 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.0 mm -53.79 -28.73 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.654 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' NH2 . 4.6 tt0 -52.94 -53.5 48.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.433 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -51.4 -5.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.43 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.024 -1.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.793 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.1 p-90 -46.86 -35.14 6.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.173 -0.955 . . . . 0.0 109.717 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.853 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -55.81 -46.37 78.08 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE2' HD13 ' A' ' 36' ' ' ILE . 40.4 mttm -47.62 -33.99 7.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.035 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.12 -38.57 35.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.332 -0.855 . . . . 0.0 109.488 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -89.9 8.08 34.03 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.251 -0.906 . . . . 0.0 109.864 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.913 HG11 HD11 ' A' ' 32' ' ' LEU . 43.4 t -90.39 -72.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.115 -0.991 . . . . 0.0 109.291 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -48.49 -23.61 1.02 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.148 -0.97 . . . . 0.0 109.236 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 79.8 mt-30 -67.78 -54.22 20.91 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.269 -0.895 . . . . 0.0 109.75 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.2 pt-20 -62.32 -41.02 98.19 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.154 -0.967 . . . . 0.0 109.667 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 13.1 mt -70.11 -18.6 63.25 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.267 -0.896 . . . . 0.0 109.811 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -59.22 -22.85 61.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.183 -0.948 . . . . 0.0 109.75 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.98 -62.08 1.69 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.276 -0.89 . . . . 0.0 109.471 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.24 -15.44 63.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 109.243 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 2.1 mm-40 -74.21 -20.62 60.12 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.364 -0.835 . . . . 0.0 109.176 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.45 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.41 -0.806 . . . . 0.0 109.534 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.5 27.59 1.47 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.65 -136.19 24.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.806 -1.318 . . . . 0.0 109.806 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.2 p -108.5 61.36 0.61 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.599 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -149.0 68.43 1.05 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.216 -0.928 . . . . 0.0 109.54 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 0.6 OUTLIER 167.36 38.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.279 -0.888 . . . . 0.0 109.605 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.1 t30 -93.1 20.51 6.75 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.946 . . . . 0.0 109.381 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.46 -42.38 1.97 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.405 -0.81 . . . . 0.0 109.463 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.21 -22.68 52.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.265 -0.897 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 3.6 mt -50.86 -34.92 30.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -0.866 . . . . 0.0 109.643 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.455 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 10.3 mmp_? -75.22 -43.13 53.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.231 -0.918 . . . . 0.0 109.623 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.51 -7.74 34.99 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.244 -0.91 . . . . 0.0 109.755 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 tpt -74.51 -47.0 35.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 2.6 pt-20 -47.72 -24.1 0.86 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.22 -0.925 . . . . 0.0 109.561 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.49 -69.31 0.28 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.268 -0.895 . . . . 0.0 109.673 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -64.73 -13.15 53.68 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.413 -0.804 . . . . 0.0 109.836 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.913 HD11 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -57.31 -50.45 72.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.703 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -14.95 59.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.244 -0.91 . . . . 0.0 110.133 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.89 -49.52 37.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.124 -0.985 . . . . 0.0 109.889 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.58 -34.74 35.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.146 -0.971 . . . . 0.0 109.852 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.659 HD11 HD12 ' A' ' 32' ' ' LEU . 63.1 mt -55.67 -20.74 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.254 -0.904 . . . . 0.0 109.659 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.1 -34.02 3.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.916 . . . . 0.0 109.597 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -169.14 103.94 0.38 Allowed 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.249 -0.907 . . . . 0.0 109.485 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.282 0.563 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.671 ' NE1' HD12 ' A' ' 3' ' ' LEU . 24.9 p-90 -47.07 -36.0 7.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 0.0 110.026 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.009 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -57.1 -46.51 82.53 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.47 -0.769 . . . . 0.0 109.714 -178.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -49.74 -29.65 8.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.21 -38.66 24.25 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.585 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -88.67 4.32 47.62 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.167 -0.958 . . . . 0.0 109.938 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 3' ' ' LEU . 83.2 t -90.2 -42.64 14.26 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 O-C-N 121.06 -1.025 . . . . 0.0 109.474 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -60.06 -55.16 37.36 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.242 -0.911 . . . . 0.0 109.2 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -57.54 -34.94 69.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.305 -0.872 . . . . 0.0 109.263 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.26 -57.52 12.25 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.297 -0.877 . . . . 0.0 109.38 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.657 HD21 ' HE2' ' A' ' 28' ' ' MET . 1.8 mt -65.92 -10.9 43.04 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.307 -0.87 . . . . 0.0 109.478 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.95 -32.76 74.4 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.3 -0.875 . . . . 0.0 109.622 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.83 94.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.199 -0.938 . . . . 0.0 109.762 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -24.29 65.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.734 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.66 3.97 32.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.143 -0.973 . . . . 0.0 109.623 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.16 -21.83 31.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.0 109.677 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.91 26.63 3.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.92 . . . . 0.0 109.503 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . 56.98 -115.05 5.98 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.527 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 1.3 m 76.63 51.13 0.05 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.285 -1.126 . . . . 0.0 109.361 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 48.79 49.8 18.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.5 p -114.68 -1.78 13.21 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' ' 25' ' ' LEU . 8.9 p30 -89.76 16.09 8.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.217 -0.927 . . . . 0.0 109.595 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.08 -45.16 2.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.633 -0.667 . . . . 0.0 109.419 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -78.88 -6.15 55.4 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.268 -0.895 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -53.49 -31.41 45.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.906 . . . . 0.0 109.549 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -72.44 -46.71 53.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.166 -0.959 . . . . 0.0 109.394 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.14 -15.32 63.39 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.405 -0.809 . . . . 0.0 109.653 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.657 ' HE2' HD21 ' A' ' 11' ' ' LEU . 9.1 tpt -69.11 -36.51 77.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.18 -0.95 . . . . 0.0 109.5 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 30' ' ' ALA . 16.6 pt-20 -49.47 -43.19 44.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.105 -0.997 . . . . 0.0 109.178 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 29' ' ' GLU . . . -64.19 -48.95 73.93 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.248 -0.908 . . . . 0.0 109.395 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -56.23 -25.75 48.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.304 -0.872 . . . . 0.0 109.667 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.99 -64.45 0.9 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.342 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -42.36 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.31 -0.869 . . . . 0.0 109.539 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.35 -24.65 20.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.277 -0.89 . . . . 0.0 109.463 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 36' ' ' ILE . 2.0 tt0 -77.38 -61.21 2.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.277 -0.89 . . . . 0.0 109.398 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.467 ' N ' HD13 ' A' ' 36' ' ' ILE . 6.3 mm -44.31 -32.66 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.224 -0.922 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -54.07 -72.07 0.07 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.896 . . . . 0.0 109.336 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.94 61.96 0.43 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 109.483 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.029 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 6' ' ' ARG . 26.4 p-90 -58.43 -37.12 74.73 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.214 -0.929 . . . . 0.0 109.418 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -56.55 -26.87 56.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.635 -0.665 . . . . 0.0 110.313 -178.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -64.02 -35.47 80.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.921 -1.112 . . . . 0.0 108.91 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' ' 8' ' ' GLU . . . -78.3 -49.0 14.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.365 -0.834 . . . . 0.0 109.174 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -71.3 -9.83 58.76 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 110.004 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 3' ' ' LEU . 12.8 t -90.73 -57.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 121.086 -1.009 . . . . 0.0 109.34 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 5' ' ' ALA . 22.7 pt-20 -46.59 -42.5 16.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.876 . . . . 0.0 109.566 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 8' ' ' GLU . 2.0 tp60 -62.84 -49.33 75.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.309 -0.869 . . . . 0.0 109.773 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -36.64 64.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.886 . . . . 0.0 109.886 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 28' ' ' MET . 27.7 mt -73.17 -33.82 65.66 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.091 -1.006 . . . . 0.0 110.043 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.98 71.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.176 -0.952 . . . . 0.0 109.962 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 -56.81 15.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 109.889 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.3 -11.94 60.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' A' ' 25' ' ' LEU . 3.9 mm-40 -94.7 -12.29 27.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.438 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.36 -46.87 73.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 0.0 109.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -156.77 65.77 0.53 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 109.362 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . -90.42 40.92 2.97 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 71.7 p 47.64 75.66 0.13 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.241 -1.153 . . . . 0.0 109.603 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' THR . 2.9 t70 75.91 52.84 0.06 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.219 -0.925 . . . . 0.0 109.716 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.31 20.49 8.13 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.23 -0.919 . . . . 0.0 109.654 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -91.87 24.85 3.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.929 . . . . 0.0 109.45 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.75 -45.66 1.75 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.365 -0.834 . . . . 0.0 109.408 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -59.81 -15.38 20.31 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.285 -0.884 . . . . 0.0 109.407 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 22.6 mt -44.73 -30.37 0.94 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.0 109.542 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HG2' ' NH1' ' A' ' 26' ' ' ARG . 7.6 mmp_? -70.32 -48.48 56.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.565 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -13.59 15.0 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.274 -0.891 . . . . 0.0 109.769 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.473 ' CG ' HD13 ' A' ' 11' ' ' LEU . 15.6 ttp -63.07 -40.76 98.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 0.0 109.78 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -47.74 79.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.246 -0.909 . . . . 0.0 109.807 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.34 84.49 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.241 -0.912 . . . . 0.0 110.013 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -63.58 -33.21 75.1 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.2 -0.937 . . . . 0.0 110.014 -179.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -54.18 -59.67 4.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 109.642 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -59.55 -20.09 53.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.719 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -67.36 -32.98 74.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.165 -0.959 . . . . 0.0 109.736 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.43 -63.26 1.32 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.757 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.4 pt -49.12 -34.75 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.21 -0.931 . . . . 0.0 109.645 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.0 mm-40 -45.41 -63.6 0.91 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.0 109.372 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.01 63.3 0.66 Allowed 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.226 -0.921 . . . . 0.0 109.472 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.979 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.227 0.537 . . . . 0.0 109.657 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.917 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 28.4 p-90 -54.16 -33.23 57.47 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 110.134 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.917 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -56.42 -37.1 69.73 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.194 -0.941 . . . . 0.0 109.775 -179.144 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -46.42 -40.15 11.69 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.14 -40.26 74.91 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.593 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -52.29 -34.46 46.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.526 -0.734 . . . . 0.0 109.197 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 3' ' ' LEU . 2.3 t -82.95 -31.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 O-C-N 121.537 -0.727 . . . . 0.0 110.081 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.55 -60.77 2.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 109.734 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 1.1 mt-30 -49.86 -36.19 26.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.2 -0.938 . . . . 0.0 109.695 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.19 -58.48 8.47 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.276 -0.89 . . . . 0.0 109.691 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.5 mt -65.34 -14.93 61.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.188 -0.945 . . . . 0.0 109.949 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -58.86 -46.7 87.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.067 -1.02 . . . . 0.0 109.292 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.36 -30.15 65.83 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.2 -0.937 . . . . 0.0 109.328 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HA ' HD12 ' A' ' 14' ' ' LEU . 2.3 tp -62.19 -36.96 83.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.283 -0.886 . . . . 0.0 109.408 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -91.87 0.15 57.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 0.0 109.483 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.91 -19.97 60.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.206 -0.934 . . . . 0.0 109.385 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER 176.0 77.78 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.297 -0.877 . . . . 0.0 109.442 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' THR . . . -121.79 -84.22 0.73 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER 179.5 93.73 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.176 -1.19 . . . . 0.0 109.643 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.51 55.43 6.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 109.887 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.1 t -96.29 0.5 50.94 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.089 -1.007 . . . . 0.0 109.616 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 18.9 t30 -93.9 21.4 6.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.219 -0.926 . . . . 0.0 109.477 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.9 -42.33 2.51 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.391 -0.818 . . . . 0.0 109.109 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LEU . 10.6 mt-10 -75.43 -0.48 20.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 109.605 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' CE ' ' A' ' 28' ' ' MET . 8.5 mt -43.08 -29.83 0.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 0.0 109.962 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -68.55 -60.87 2.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.132 -0.98 . . . . 0.0 109.416 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.64 -8.46 20.57 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.22 -0.925 . . . . 0.0 109.698 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.627 ' CE ' HD23 ' A' ' 25' ' ' LEU . 9.7 ttp -75.42 -44.86 42.28 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.143 -0.973 . . . . 0.0 109.566 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 13.1 pt-20 -53.53 -36.84 62.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.143 -0.973 . . . . 0.0 109.098 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.95 61.84 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.301 -0.874 . . . . 0.0 109.262 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -60.49 -21.06 61.99 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.333 -0.854 . . . . 0.0 109.429 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -62.35 -57.02 12.84 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.719 ' HA ' HD11 ' A' ' 36' ' ' ILE . 16.8 mttm -62.61 -28.68 70.06 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.242 -0.911 . . . . 0.0 109.675 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 37' ' ' GLN . . . -63.71 -46.67 84.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.147 -0.97 . . . . 0.0 109.497 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -60.02 3.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.242 -0.911 . . . . 0.0 109.523 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -55.66 -23.46 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.244 -0.91 . . . . 0.0 109.548 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HB3' ' O ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -43.65 -40.52 4.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 0.0 109.615 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.03 -55.43 5.58 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 0.0 109.439 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.209 0.528 . . . . 0.0 109.787 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.656 ' CE2' HD12 ' A' ' 3' ' ' LEU . 26.9 p-90 -59.65 -38.47 81.5 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.22 -0.925 . . . . 0.0 110.028 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.656 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -57.57 -21.85 41.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.429 -0.795 . . . . 0.0 110.172 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 1' ' ' ASP . 0.3 OUTLIER -69.08 -35.17 76.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.015 . . . . 0.0 108.884 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.1 -28.38 25.63 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.418 -0.801 . . . . 0.0 109.737 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -90.16 -10.31 44.97 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.088 -1.008 . . . . 0.0 110.198 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' HD12 ' A' ' 11' ' ' LEU . 9.7 p -90.54 -33.65 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.001 -1.062 . . . . 0.0 109.886 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -39.22 81.95 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 109.685 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -46.76 81.92 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.206 -0.934 . . . . 0.0 109.655 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -45.5 80.33 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.137 -0.977 . . . . 0.0 109.674 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 7' ' ' VAL . 6.8 mt -68.23 -9.58 48.21 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.749 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -73.71 -54.68 7.54 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -0.915 . . . . 0.0 109.722 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.07 -19.9 61.96 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.3 -0.875 . . . . 0.0 109.834 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -75.92 -44.92 37.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.148 -0.97 . . . . 0.0 109.632 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.42 -15.38 56.94 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 109.575 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.75 -46.94 23.29 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.2 -0.938 . . . . 0.0 109.486 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -101.05 51.04 0.86 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.236 -0.915 . . . . 0.0 109.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.68 179.14 21.89 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -121.69 19.02 11.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -1.131 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -165.04 51.88 0.11 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.283 -0.886 . . . . 0.0 109.438 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.2 m -68.93 -169.75 0.19 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 0.0 109.751 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.448 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.1 t30 54.8 19.35 2.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.351 -0.843 . . . . 0.0 109.437 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.85 -43.57 0.58 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.485 -0.759 . . . . 0.0 109.562 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 28' ' ' MET . 60.3 mm-40 -85.61 23.59 1.36 Allowed 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.227 -0.921 . . . . 0.0 110.067 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 22' ' ' ASN . 21.6 mt -78.98 -66.35 0.88 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.08 -1.013 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 8.0 mmp_? -60.53 -37.95 82.84 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 0.0 109.405 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.32 -32.52 73.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.276 -0.89 . . . . 0.0 109.535 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 5.0 tmm? -65.67 -24.18 66.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.0 109.569 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.11 -50.2 69.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 -179.774 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.24 -58.9 4.79 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.134 -0.979 . . . . 0.0 109.827 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -20.14 13.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.212 -0.93 . . . . 0.0 109.817 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 24.1 tp -65.83 -48.89 70.14 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.918 . . . . 0.0 109.788 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -22.62 58.08 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.274 -0.891 . . . . 0.0 110.046 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.09 -28.88 39.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.107 -0.996 . . . . 0.0 110.002 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 39' ' ' NH2 . 0.6 OUTLIER -87.95 -42.4 12.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.085 -1.01 . . . . 0.0 109.678 -179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -55.85 -32.21 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.681 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -43.8 -38.13 3.1 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 109.577 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -173.89 -19.17 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.269 -0.894 . . . . 0.0 109.49 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.742 ' CE2' HD22 ' A' ' 3' ' ' LEU . 39.3 p-90 -55.25 -24.36 27.5 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.024 -1.047 . . . . 0.0 109.709 -179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.5 mm? -49.49 -40.92 39.19 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.277 -0.89 . . . . 0.0 109.069 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -43.79 64.04 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.515 -0.741 . . . . 0.0 109.543 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.52 -45.33 65.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 109.711 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.556 ' CG ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -76.02 -2.33 30.1 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.091 -1.006 . . . . 0.0 109.984 -179.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 3' ' ' LEU . 45.4 t -90.2 -54.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.172 -0.955 . . . . 0.0 109.305 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -67.09 -33.14 74.84 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.263 -0.898 . . . . 0.0 109.172 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -29.95 70.4 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.318 -0.864 . . . . 0.0 109.459 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -59.25 2.84 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.321 -0.862 . . . . 0.0 109.726 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.682 HD22 ' SD ' ' A' ' 28' ' ' MET . 1.2 mt -59.01 -25.54 63.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.227 -0.92 . . . . 0.0 109.775 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -74.45 -28.21 60.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.244 -0.91 . . . . 0.0 109.78 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.81 -13.0 61.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.186 -0.946 . . . . 0.0 109.722 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HA ' HD23 ' A' ' 14' ' ' LEU . 12.6 mt -90.0 -36.69 14.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 0.0 109.689 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.81 -10.6 55.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.256 -0.902 . . . . 0.0 109.749 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.44 -4.88 28.88 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 109.58 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -144.89 62.11 1.31 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.216 -0.928 . . . . 0.0 109.457 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.88 147.48 10.5 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.7 p -120.42 23.32 10.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.312 -1.11 . . . . 0.0 109.5 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -142.47 63.62 1.39 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.893 . . . . 0.0 109.406 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -171.86 27.98 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.293 -0.879 . . . . 0.0 109.589 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -96.71 18.13 15.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.196 -0.94 . . . . 0.0 109.137 179.8 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.03 -33.52 4.14 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.515 -0.741 . . . . 0.0 109.57 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -86.72 25.54 1.25 Allowed 'General case' 0 N--CA 1.486 1.325 0 O-C-N 121.283 -0.886 . . . . 0.0 109.855 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -81.03 -18.98 44.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.191 -0.943 . . . . 0.0 109.642 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -75.87 -38.61 57.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.0 109.563 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -21.4 66.77 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.251 -0.905 . . . . 0.0 109.757 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.682 ' SD ' HD22 ' A' ' 11' ' ' LEU . 48.0 ttp -74.23 -21.24 59.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -59.36 -54.83 42.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.212 -0.93 . . . . 0.0 109.515 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.08 71.7 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.237 -0.915 . . . . 0.0 109.755 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -16.04 30.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.247 -0.908 . . . . 0.0 109.907 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.28 -65.56 0.57 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.178 -0.951 . . . . 0.0 109.473 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 36' ' ' ILE . 63.2 mttt -64.41 -30.6 71.64 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.234 -0.916 . . . . 0.0 109.753 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.181 -0.949 . . . . 0.0 109.578 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.22 -38.94 34.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.14 -0.975 . . . . 0.0 109.509 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 33' ' ' LYS . 73.0 mt -47.2 -34.23 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.235 -0.916 . . . . 0.0 109.443 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.14 -69.96 0.39 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.338 -0.851 . . . . 0.0 109.535 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -51.88 -22.8 4.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.566 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.928 -1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.819 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.8 p-90 -54.59 -33.32 60.15 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.337 -0.852 . . . . 0.0 109.876 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.819 HD12 ' NE1' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -54.82 -34.9 63.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.469 -0.769 . . . . 0.0 110.331 -178.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -35.75 69.75 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 109.47 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.3 -41.45 28.01 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.236 -0.915 . . . . 0.0 109.634 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 2.8 ppt_? -80.96 -2.89 49.6 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 110.035 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 3' ' ' LEU . 37.6 t -91.28 -41.06 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.152 -0.967 . . . . 0.0 109.621 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -62.33 -61.23 2.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.302 -0.874 . . . . 0.0 109.663 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 11.0 pt20 -48.74 -26.09 2.17 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.566 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 6.8 mm-40 -68.81 -64.03 0.95 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.185 -0.947 . . . . 0.0 109.826 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.866 HD21 ' HG2' ' A' ' 28' ' ' MET . 0.9 OUTLIER -64.39 -12.16 40.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -82.9 -47.56 11.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.056 -1.027 . . . . 0.0 109.733 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.47 -27.79 66.43 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.206 -0.933 . . . . 0.0 109.729 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.69 -65.54 0.68 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.155 -0.966 . . . . 0.0 109.485 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 5.5 pt-20 -63.29 -12.28 28.21 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 109.611 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.3 -25.3 22.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.588 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.86 53.97 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.176 -0.952 . . . . 0.0 109.494 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.23 -37.42 0.46 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 p 48.52 22.99 0.54 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.199 -1.177 . . . . 0.0 109.502 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 21' ' ' SER . 1.6 t70 -143.06 48.11 1.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.167 -0.958 . . . . 0.0 109.456 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER 174.64 34.2 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.393 -0.817 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.537 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 4.4 t30 -90.19 18.2 6.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -0.878 . . . . 0.0 109.234 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.21 -38.87 2.53 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.575 -0.703 . . . . 0.0 109.54 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.88 -5.83 18.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.316 -0.865 . . . . 0.0 110.004 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.5 mt -60.97 -47.23 87.4 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 109.682 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -38.72 91.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 0.0 109.626 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -8.59 53.56 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.232 -0.917 . . . . 0.0 109.628 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.866 ' HG2' HD21 ' A' ' 11' ' ' LEU . 11.6 tpt -71.7 -33.28 68.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.214 -0.928 . . . . 0.0 109.578 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -53.3 -35.0 59.64 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.604 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -58.21 9.29 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.265 -0.897 . . . . 0.0 109.808 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -22.43 61.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.225 -0.922 . . . . 0.0 109.652 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.89 -70.42 0.15 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.289 -0.882 . . . . 0.0 109.787 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.98 -13.97 13.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.258 -0.902 . . . . 0.0 109.886 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.92 70.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.175 -0.953 . . . . 0.0 109.761 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -86.03 -52.32 5.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.2 -0.937 . . . . 0.0 109.805 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 mt -50.88 -21.37 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.179 -0.951 . . . . 0.0 109.697 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -55.43 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.129 -0.982 . . . . 0.0 109.349 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 23.68 0.34 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.321 -0.862 . . . . 0.0 109.582 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.7 t0 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.604 ' CZ3' ' HG3' ' A' ' 6' ' ' ARG . 58.7 p-90 -57.65 -32.24 67.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.269 -0.894 . . . . 0.0 109.557 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 6' ' ' ARG . 5.1 tp -59.17 -32.97 70.38 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.7 -0.625 . . . . 0.0 109.462 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -36.21 58.08 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.88 -37.36 81.7 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.954 ' HB2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -49.59 -41.61 42.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 108.845 179.407 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.518 HG21 HD12 ' A' ' 36' ' ' ILE . 46.8 t -75.23 -36.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.506 -0.746 . . . . 0.0 110.063 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -60.0 4.34 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.157 -0.964 . . . . 0.0 109.518 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 2.4 pt20 -55.51 -23.61 27.22 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.35 -0.844 . . . . 0.0 109.377 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 3.8 tt0 -69.19 -60.88 2.05 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.258 -0.901 . . . . 0.0 109.681 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -79.57 4.97 14.26 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.233 -0.917 . . . . 0.0 109.893 -179.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -66.86 -64.25 0.89 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.9 -16.02 59.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.255 -0.903 . . . . 0.0 109.81 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.77 HD12 ' HE1' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.64 -40.02 88.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.943 . . . . 0.0 109.583 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.609 ' HG3' HD11 ' A' ' 25' ' ' LEU . 3.4 tt0 -91.73 -42.49 10.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.84 75.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.432 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.01 67.46 1.47 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.299 -0.876 . . . . 0.0 109.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' THR . . . -97.82 18.54 57.07 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 18' ' ' GLY . 2.3 t 39.64 74.04 0.1 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.549 -0.971 . . . . 0.0 109.865 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' THR . 0.4 OUTLIER 75.63 54.23 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.343 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.465 ' O ' HD12 ' A' ' 25' ' ' LEU . 21.9 m -120.9 21.2 11.47 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.288 -0.882 . . . . 0.0 109.695 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.72 ' HA ' HD12 ' A' ' 25' ' ' LEU . 19.9 p30 -87.31 13.35 9.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.728 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.19 -45.69 2.1 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.625 -0.672 . . . . 0.0 109.369 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -76.73 1.4 17.27 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -56.04 -20.59 17.48 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.235 -0.916 . . . . 0.0 109.676 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -50.89 52.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.9 . . . . 0.0 109.499 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.67 -26.35 22.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.267 -0.896 . . . . 0.0 109.732 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.77 ' HE1' HD12 ' A' ' 14' ' ' LEU . 1.1 tpp -66.03 -41.34 91.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -38.34 64.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 109.767 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.09 3.58 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.202 -0.936 . . . . 0.0 110.021 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -68.66 -5.02 17.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.219 -0.926 . . . . 0.0 110.192 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -74.84 -73.32 0.25 Allowed 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.026 -1.046 . . . . 0.0 110.047 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HA ' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.69 -8.6 28.89 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.155 -0.966 . . . . 0.0 110.006 -179.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.4 -44.37 12.09 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.189 -0.944 . . . . 0.0 109.857 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.18 -28.62 34.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.949 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.583 HG22 ' HA ' ' A' ' 33' ' ' LYS . 16.4 tt -76.96 -34.66 22.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.248 -0.908 . . . . 0.0 109.665 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 18.4 tt0 -49.37 -33.78 14.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.316 -0.865 . . . . 0.0 109.446 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 37' ' ' GLN . 0.1 OUTLIER 168.05 58.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.417 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.968 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . 0.558 ' H21' HD13 ' A' ' 3' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.743 ' NE1' HD12 ' A' ' 3' ' ' LEU . 32.9 p-90 -59.13 -34.51 72.14 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.297 -0.877 . . . . 0.0 109.966 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -53.17 -24.66 11.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.508 -0.745 . . . . 0.0 110.485 -178.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.94 -39.22 83.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.949 -1.095 . . . . 0.0 109.131 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.72 -29.98 36.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.36 -0.837 . . . . 0.0 109.598 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -80.67 -18.77 46.94 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.399 -0.813 . . . . 0.0 109.446 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 3' ' ' LEU . 54.8 t -82.03 -36.4 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 121.086 -1.009 . . . . 0.0 109.202 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 11' ' ' LEU . 3.7 tp10 -59.02 -24.86 63.19 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.275 -0.891 . . . . 0.0 109.275 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -65.51 -63.0 1.2 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.316 -0.865 . . . . 0.0 109.733 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.5 mm-40 -51.78 -43.12 62.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.197 -0.94 . . . . 0.0 109.589 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 8' ' ' GLU . 10.5 mt -54.81 -51.26 66.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.701 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -62.87 -22.05 66.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.196 -0.94 . . . . 0.0 109.528 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . -72.29 -31.89 66.12 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.235 -0.915 . . . . 0.0 109.754 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -46.29 20.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.194 -0.941 . . . . 0.0 109.756 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -67.28 -26.61 66.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.205 -0.935 . . . . 0.0 109.506 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.6 -10.64 57.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.225 -0.922 . . . . 0.0 109.616 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -145.38 58.54 1.27 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.123 -0.986 . . . . 0.0 109.601 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.77 131.96 3.83 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.9 p -112.48 8.37 19.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.246 -1.149 . . . . 0.0 109.639 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.77 65.59 0.53 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.405 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.61 32.28 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 109.533 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.525 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 1.5 m-20 -94.1 21.69 6.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.216 -0.927 . . . . 0.0 109.198 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.13 -43.03 1.97 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.441 -0.787 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.74 -25.92 42.95 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.251 -0.906 . . . . 0.0 109.364 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.3 mt -50.54 -41.2 53.65 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.255 -0.903 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' NH2' ' HB2' ' A' ' 25' ' ' LEU . 2.2 mmp_? -51.18 -51.09 57.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.23 -0.919 . . . . 0.0 109.159 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.6 71.54 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.269 -0.895 . . . . 0.0 109.436 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 tpp -61.98 -27.39 68.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -52.87 -50.58 63.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.188 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.52 93.28 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.24 -0.912 . . . . 0.0 109.349 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -26.22 60.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.36 -0.837 . . . . 0.0 109.595 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -61.11 -47.76 84.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.154 -0.966 . . . . 0.0 109.635 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.574 ' HA ' HD11 ' A' ' 36' ' ' ILE . 20.0 ttpt -61.3 -26.65 67.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.826 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.4 -28.2 69.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.198 -0.939 . . . . 0.0 109.819 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -64.62 1.11 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.089 -1.007 . . . . 0.0 109.883 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.3 pt -46.88 -23.9 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.269 -0.894 . . . . 0.0 109.906 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -50.56 14.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.136 -0.978 . . . . 0.0 109.569 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -61.16 2.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.004 -1.685 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 121.098 0.475 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.678 ' CE2' HD22 ' A' ' 3' ' ' LEU . 37.1 p-90 -52.5 -23.29 5.97 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 109.874 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.961 ' O ' HG23 ' A' ' 7' ' ' VAL . 3.6 mm? -55.56 -46.7 77.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.913 . . . . 0.0 109.111 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.28 -36.99 6.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.442 -0.787 . . . . 0.0 109.642 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.66 -40.89 55.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.192 -0.943 . . . . 0.0 109.451 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.582 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.54 7.72 28.26 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.308 -0.87 . . . . 0.0 109.949 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.961 HG23 ' O ' ' A' ' 3' ' ' LEU . 54.4 t -89.33 -58.45 3.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.077 -1.014 . . . . 0.0 109.889 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -50.07 63.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.178 -0.951 . . . . 0.0 109.513 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -58.66 -29.11 66.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.0 109.819 -179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -56.29 7.42 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.309 -0.869 . . . . 0.0 110.141 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 14' ' ' LEU . 1.1 mt -85.82 19.91 2.37 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.108 -0.995 . . . . 0.0 110.257 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.499 ' HG3' ' N ' ' A' ' 13' ' ' ALA . 9.8 pt20 -75.88 -42.15 50.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.927 -1.108 . . . . 0.0 109.497 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' N ' ' HG3' ' A' ' 12' ' ' GLN . . . -78.76 -10.44 59.77 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.199 -0.938 . . . . 0.0 109.437 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -72.09 -45.68 59.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.903 . . . . 0.0 109.437 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 0.8 OUTLIER -73.36 -22.11 60.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.527 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -68.63 -30.7 69.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.24 -0.913 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.76 57.89 1.03 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.215 -0.928 . . . . 0.0 109.599 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.56 125.13 4.28 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -91.71 15.65 12.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -1.135 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -144.98 81.82 1.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.36 -0.837 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.14 -148.86 0.27 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.242 -0.911 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.532 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 8.6 t-20 60.03 16.13 5.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -0.905 . . . . 0.0 109.419 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.02 -50.94 0.26 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.495 -0.753 . . . . 0.0 109.546 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.59 -4.78 55.39 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.385 -0.822 . . . . 0.0 109.873 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 7.4 mt -45.58 -34.59 3.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.93 . . . . 0.0 109.434 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 7.1 mmp_? -74.38 -46.14 42.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 0.0 109.516 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.84 -14.17 20.19 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.16 -0.963 . . . . 0.0 109.599 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.84 -40.16 96.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.239 -0.913 . . . . 0.0 109.542 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.53 -38.46 81.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.174 -0.954 . . . . 0.0 109.537 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.45 2.58 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.267 -0.896 . . . . 0.0 109.806 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.8 mtmt -62.89 -18.41 62.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.918 . . . . 0.0 109.873 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 ' C ' ' A' ' 32' ' ' LEU . 6.1 tt -51.15 -67.22 0.27 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.89 -18.35 8.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.603 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -73.71 -39.02 64.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.2 -0.937 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -72.41 -52.4 16.15 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.614 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 33' ' ' LYS . 1.1 pt -57.25 -33.13 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.174 -0.954 . . . . 0.0 109.616 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 27.9 tt0 -57.65 -56.55 20.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.259 -0.901 . . . . 0.0 109.213 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -70.5 53.47 0.14 Allowed 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.422 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.954 -1.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.266 0.555 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.638 ' CE2' HD12 ' A' ' 3' ' ' LEU . 29.1 p-90 -63.56 -33.3 75.29 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.226 -0.921 . . . . 0.0 110.186 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.638 HD12 ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -59.28 -17.51 29.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.291 -0.88 . . . . 0.0 110.428 -178.736 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -74.95 -31.81 61.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.962 -1.087 . . . . 0.0 108.973 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.2 -29.14 20.71 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.461 -0.774 . . . . 0.0 109.486 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -87.71 -17.62 31.34 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 121.247 -0.908 . . . . 0.0 109.831 -179.683 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 3' ' ' LEU . 9.8 p -85.6 -26.13 6.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 O-C-N 121.228 -0.92 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -68.48 -49.7 57.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.446 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -44.69 78.29 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.265 -0.897 . . . . 0.0 109.711 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.5 -48.32 82.29 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.799 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 11' ' ' LEU . 70.7 mt -63.15 -13.49 37.51 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.303 -0.873 . . . . 0.0 109.83 -179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.03 -18.8 65.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.987 . . . . 0.0 109.872 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -18.44 59.82 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.179 -0.95 . . . . 0.0 109.375 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -75.09 0.18 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.34 -0.85 . . . . 0.0 109.593 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.21 -22.57 1.78 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -63.57 1.08 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.258 -0.901 . . . . 0.0 109.417 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.65 44.81 0.99 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.71 117.22 1.0 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 p -106.1 15.53 26.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -1.133 . . . . 0.0 109.483 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' SER . 32.2 t0 -116.02 62.38 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 20' ' ' ASP . 40.3 t 177.34 37.09 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.237 -0.914 . . . . 0.0 109.583 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -91.1 16.25 10.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.48 -39.77 2.74 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.663 -0.648 . . . . 0.0 109.481 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -83.56 10.47 8.97 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.339 -0.85 . . . . 0.0 109.537 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.87 -32.12 60.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 0.0 109.493 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -43.6 40.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.882 . . . . 0.0 109.336 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.38 -12.74 60.98 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.23 -0.919 . . . . 0.0 109.497 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -31.49 71.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 109.401 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt-10 -59.74 -34.03 72.42 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.221 -0.924 . . . . 0.0 109.25 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.63 76.23 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.218 -0.926 . . . . 0.0 109.519 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -62.57 -20.42 64.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.312 -0.868 . . . . 0.0 109.665 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -56.22 -40.71 74.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.191 -0.943 . . . . 0.0 109.739 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -56.91 -31.21 64.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.725 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.12 74.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.205 -0.935 . . . . 0.0 109.584 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -62.92 1.35 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 109.551 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.8 mp -50.6 -26.2 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.15 -0.969 . . . . 0.0 109.495 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ILE . 32.5 tt0 -45.08 -58.65 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -0.965 . . . . 0.0 109.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 3.7 tptp -64.19 -38.1 89.83 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.326 -0.859 . . . . 0.0 109.534 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.91 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.792 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.5 p-90 -50.75 -35.18 30.33 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.301 -0.875 . . . . 0.0 109.687 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.976 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -54.19 -42.58 69.89 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.485 -0.759 . . . . 0.0 109.696 -178.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -45.95 -38.73 7.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.169 -0.957 . . . . 0.0 109.077 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.31 -50.95 33.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.272 -0.892 . . . . 0.0 109.654 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -78.04 4.74 11.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.134 -0.979 . . . . 0.0 110.04 -179.605 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 3' ' ' LEU . 52.7 t -86.95 -68.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.112 -0.992 . . . . 0.0 109.656 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' VAL . 5.4 tp10 -45.32 -41.16 8.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.181 -0.949 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.02 -47.86 81.25 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.302 -0.874 . . . . 0.0 109.466 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -48.25 68.06 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.269 -0.894 . . . . 0.0 109.612 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 14' ' ' LEU . 28.0 mt -57.13 -37.23 71.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.22 -0.925 . . . . 0.0 109.589 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -56.87 -37.84 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.494 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.55 -28.78 63.05 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.276 -0.89 . . . . 0.0 109.694 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD12 HD23 ' A' ' 11' ' ' LEU . 97.2 mt -68.03 -34.19 76.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 109.669 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 -7.14 43.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.16 -0.963 . . . . 0.0 109.544 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.09 -14.26 62.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.295 -0.878 . . . . 0.0 109.527 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.49 54.03 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.935 . . . . 0.0 109.497 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.57 173.31 23.73 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.53 19.55 16.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -1.189 . . . . 0.0 109.387 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.27 51.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 109.217 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -79.33 -170.11 2.16 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.325 -0.86 . . . . 0.0 109.979 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 2.5 m120 57.57 17.17 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.18 -45.65 0.42 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.444 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' MET . 1.6 mm-40 -83.45 14.35 3.76 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.349 -0.844 . . . . 0.0 110.009 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 22' ' ' ASN . 1.2 mt -71.33 -72.99 0.19 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.011 -1.056 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -39.62 83.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.194 -0.941 . . . . 0.0 109.339 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.62 88.19 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.0 109.534 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 2.0 ttp -70.6 -16.29 62.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.35 -35.9 82.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.231 -0.918 . . . . 0.0 109.539 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.81 -30.32 70.93 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.191 -0.943 . . . . 0.0 109.784 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -84.0 -15.81 46.29 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.243 -0.911 . . . . 0.0 109.841 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.46 -66.43 0.39 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.744 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' O ' HG12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER -64.63 -9.07 16.93 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.23 -25.58 42.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.405 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.85 -40.26 12.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.529 HG13 ' N ' ' A' ' 37' ' ' GLN . 43.2 pt -47.74 -34.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.514 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.529 ' N ' HG13 ' A' ' 36' ' ' ILE . 7.5 tt0 -51.13 -69.85 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.266 -0.897 . . . . 0.0 109.219 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -85.58 45.25 1.18 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.32 -0.863 . . . . 0.0 109.54 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.991 -1.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.1 t70 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 24.0 p-90 -57.47 -42.11 81.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.264 -0.897 . . . . 0.0 110.131 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -50.61 -27.39 6.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.37 -0.831 . . . . 0.0 109.894 -179.022 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -44.26 96.9 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.101 -0.999 . . . . 0.0 108.978 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.67 -32.06 60.01 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.473 -0.767 . . . . 0.0 109.871 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -86.82 -5.62 59.05 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.056 -1.028 . . . . 0.0 110.061 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 3' ' ' LEU . 10.9 t -89.68 -35.65 7.76 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.105 -0.997 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.32 -54.61 22.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.618 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 12' ' ' GLN . 12.3 pt20 -62.85 -14.87 51.28 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.216 -0.927 . . . . 0.0 109.823 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 3.8 tm-20 -82.38 -51.0 8.28 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.193 -0.942 . . . . 0.0 109.757 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -66.23 -25.93 67.13 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.256 -0.902 . . . . 0.0 109.895 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -52.7 -20.27 3.0 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.143 -0.973 . . . . 0.0 109.503 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.56 67.98 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HG ' ' N ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -73.96 -21.39 60.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.2 tm-20 -92.49 -3.97 54.32 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 109.525 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.57 -18.89 39.75 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -173.71 81.42 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.6 -172.04 13.92 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 p -90.41 -104.52 0.1 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.234 -1.157 . . . . 0.0 109.409 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.36 53.31 2.44 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.176 -0.952 . . . . 0.0 109.435 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -86.0 19.04 2.73 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.24 -0.912 . . . . 0.0 109.946 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.572 ' HA ' HD12 ' A' ' 25' ' ' LEU . 6.6 m120 -90.89 22.9 3.39 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.096 -1.002 . . . . 0.0 109.339 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.0 -47.56 1.64 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.368 -0.833 . . . . 0.0 109.515 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LEU . 11.8 mm-40 -62.46 -12.29 21.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.238 -0.914 . . . . 0.0 109.572 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -43.38 -38.09 2.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -70.48 -46.71 63.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.168 -0.957 . . . . 0.0 109.258 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -5.94 32.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.293 -0.88 . . . . 0.0 109.415 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 26.0 ttp -74.18 -43.21 58.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.392 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.77 -35.53 77.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.918 . . . . 0.0 109.305 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.08 -56.07 15.15 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.248 -0.908 . . . . 0.0 109.693 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.637 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 25.6 pttt -61.85 -15.88 45.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.257 -0.902 . . . . 0.0 109.638 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tp -54.97 -72.77 0.06 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.27 -0.893 . . . . 0.0 109.464 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' O ' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -69.49 -5.29 23.08 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.35 -0.844 . . . . 0.0 109.789 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -82.4 -28.08 31.65 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.171 -0.956 . . . . 0.0 109.447 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -88.16 -34.2 17.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.273 -0.892 . . . . 0.0 109.432 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 33' ' ' LYS . 2.4 pp -45.15 -33.16 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.319 -0.863 . . . . 0.0 109.707 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -51.11 -66.06 0.45 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -117.47 70.64 0.79 Allowed 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.172 -0.955 . . . . 0.0 109.522 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.981 -1.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . 0.58 ' O3 ' ' CD1' ' A' ' 2' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.641 ' NE1' HD12 ' A' ' 3' ' ' LEU . 26.4 p-90 -45.66 -36.91 5.21 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.109 -0.994 . . . . 0.0 109.652 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.045 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -57.46 -47.74 81.04 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.539 -0.725 . . . . 0.0 109.53 -179.051 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -48.05 -29.79 3.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.936 . . . . 0.0 109.004 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.02 -36.94 27.25 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.336 -0.852 . . . . 0.0 109.502 179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.532 ' NE ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.36 4.79 47.78 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.714 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 3' ' ' LEU . 66.3 t -91.08 -46.68 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 121.18 -0.95 . . . . 0.0 109.748 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -25.49 20.02 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.346 -0.846 . . . . 0.0 109.722 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -69.72 -43.78 71.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.272 -0.892 . . . . 0.0 109.416 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.77 -57.06 12.24 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.243 -0.911 . . . . 0.0 109.585 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.619 HD11 HG12 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -58.21 -33.77 69.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.284 -0.885 . . . . 0.0 109.682 -179.78 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.25 -31.66 71.3 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.158 -0.964 . . . . 0.0 109.496 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -32.8 73.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -20.65 62.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.442 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.8 -13.94 17.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.376 -0.828 . . . . 0.0 109.476 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.32 -11.33 60.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.608 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.41 44.67 2.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.0 109.477 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.86 161.93 33.69 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 19' ' ' THR . 11.3 t -128.22 40.03 3.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.267 -1.137 . . . . 0.0 109.359 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.76 74.54 0.94 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.32 -0.863 . . . . 0.0 109.333 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t 179.61 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.255 -0.903 . . . . 0.0 109.428 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -103.11 23.38 12.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.439 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.95 -43.94 1.49 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.42 -0.8 . . . . 0.0 109.44 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -72.59 -2.1 18.61 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 28' ' ' MET . 34.5 mt -50.45 -23.28 2.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.0 109.991 -179.7 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -34.06 16.03 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 109.568 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.54 60.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.217 -0.927 . . . . 0.0 110.004 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 21.5 ptt? -67.68 -28.06 67.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -0.996 . . . . 0.0 109.756 -179.684 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.79 -38.68 79.08 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.291 -0.881 . . . . 0.0 109.823 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.36 -54.68 37.22 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.178 -0.952 . . . . 0.0 109.757 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.39 75.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.212 -0.93 . . . . 0.0 109.876 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.887 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.2 tp -54.77 -49.36 71.08 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.737 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.33 -24.99 68.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.879 -179.663 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.28 52.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.951 . . . . 0.0 109.664 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.94 -37.67 54.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.953 . . . . 0.0 109.791 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.6 mt -49.31 -35.31 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.119 -0.988 . . . . 0.0 109.551 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.33 -61.18 2.4 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -0.877 . . . . 0.0 109.477 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -50.53 -69.33 0.12 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.514 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.959 -1.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 4' ' ' LYS . 4.4 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.131 0.491 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.742 ' NE1' HD12 ' A' ' 3' ' ' LEU . 27.2 p-90 -52.8 -34.01 51.61 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.163 -0.96 . . . . 0.0 109.925 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.009 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -55.68 -39.57 71.15 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.47 -0.769 . . . . 0.0 109.92 -178.713 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER -52.18 -34.37 44.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.159 -0.963 . . . . 0.0 109.554 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.98 -33.32 33.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.212 -0.93 . . . . 0.0 109.95 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.542 ' CG ' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -89.94 0.42 57.09 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.076 -1.015 . . . . 0.0 110.149 -179.499 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 3' ' ' LEU . 99.5 t -90.29 -66.42 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 120.986 -1.071 . . . . 0.0 109.531 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' GLN . 5.7 pt-20 -49.29 -36.73 21.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.75 -179.72 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 1.3 tt0 -57.42 -49.56 75.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.235 -0.916 . . . . 0.0 109.478 -179.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -49.5 77.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.815 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD22 ' CE ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -84.16 7.06 20.16 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.179 -0.951 . . . . 0.0 110.073 -179.472 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 8' ' ' GLU . 2.2 mt-30 -77.3 -51.4 10.94 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.057 -1.027 . . . . 0.0 109.474 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -57.07 -23.65 48.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.228 -0.92 . . . . 0.0 109.552 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.21 -48.66 78.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.253 -0.904 . . . . 0.0 109.646 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -86.0 -8.15 58.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.64 -49.34 54.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.282 -0.886 . . . . 0.0 109.54 -179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.532 ' NH1' ' HB1' ' A' ' 13' ' ' ALA . 6.4 mtt180 -103.15 51.74 0.79 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.211 -0.931 . . . . 0.0 109.516 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.25 106.75 0.22 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.8 p -89.49 25.73 1.89 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.237 -1.154 . . . . 0.0 109.586 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -107.2 52.77 0.71 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 109.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.79 35.15 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -88.06 15.7 7.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.338 -0.851 . . . . 0.0 109.646 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.34 -42.87 2.22 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.629 -0.669 . . . . 0.0 109.595 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -77.84 2.25 17.81 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.201 -0.937 . . . . 0.0 109.861 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.02 -34.89 45.06 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.969 . . . . 0.0 109.443 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -71.0 -42.62 69.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.217 -0.927 . . . . 0.0 109.352 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.63 -29.7 68.2 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.294 -0.878 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.693 ' CE ' HD22 ' A' ' 11' ' ' LEU . 7.3 tpt -63.3 -31.27 72.37 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.26 -0.9 . . . . 0.0 109.397 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.57 -44.57 90.27 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 109.307 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -56.93 14.91 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.215 -0.928 . . . . 0.0 109.419 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -23.85 66.46 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.254 -0.904 . . . . 0.0 109.453 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.11 -49.52 73.65 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.847 . . . . 0.0 109.614 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.71 -30.65 33.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.0 109.585 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.42 -37.72 80.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.225 -0.922 . . . . 0.0 109.52 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -70.95 -43.19 68.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.191 -0.943 . . . . 0.0 109.635 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.12 -43.23 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.216 -0.927 . . . . 0.0 109.619 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.95 -69.5 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -54.29 -12.91 0.74 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.229 -0.919 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.932 -1.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.788 ' CZ2' HD12 ' A' ' 3' ' ' LEU . 34.1 p-90 -56.29 -27.1 54.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.335 -0.853 . . . . 0.0 109.809 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.788 HD12 ' CZ2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -60.72 -35.93 77.57 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.123 -0.986 . . . . 0.0 109.607 -179.417 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' LEU . 1.9 pttm -47.86 -34.33 8.67 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.99 -39.53 55.63 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.614 ' HG3' ' CZ3' ' A' ' 2' ' ' TRP . 2.9 mmp_? -52.82 -35.52 57.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.432 -0.792 . . . . 0.0 109.393 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.05 -25.1 5.8 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.29 -0.882 . . . . 0.0 110.033 -179.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.98 -35.79 77.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.156 -0.965 . . . . 0.0 109.865 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.58 -51.3 60.78 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.174 -0.954 . . . . 0.0 109.66 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.82 -44.68 96.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.232 -0.917 . . . . 0.0 109.672 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.9 mt -71.73 -13.7 61.8 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 109.88 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -67.97 -39.85 83.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.2 -0.937 . . . . 0.0 109.679 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.87 73.15 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.298 -0.877 . . . . 0.0 109.8 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.15 -46.7 76.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.152 -0.968 . . . . 0.0 109.694 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.08 -39.49 66.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 109.524 -179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.33 -36.57 75.92 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.399 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -118.76 45.31 2.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.308 -0.87 . . . . 0.0 109.581 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.8 -0.35 42.34 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.19 73.06 0.34 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.169 -1.195 . . . . 0.0 109.42 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 t70 55.95 49.84 15.07 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.278 -0.889 . . . . 0.0 109.48 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 p -86.69 53.37 2.79 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.56 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -101.41 15.18 29.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.207 -0.933 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.96 -48.67 2.23 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.66 -0.65 . . . . 0.0 109.444 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.16 -8.38 30.76 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.314 -0.866 . . . . 0.0 109.727 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.4 mt -47.4 -34.49 7.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -49.32 76.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.193 -0.942 . . . . 0.0 109.494 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.66 -50.78 72.6 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.259 -0.901 . . . . 0.0 109.659 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.06 -26.22 65.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.499 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -70.25 -36.68 74.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.897 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.55 -59.09 5.08 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.246 -0.909 . . . . 0.0 109.638 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -57.92 -23.92 55.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -0.885 . . . . 0.0 109.862 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.83 -61.38 2.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.135 -0.978 . . . . 0.0 109.73 -179.838 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.877 ' HA ' HD12 ' A' ' 36' ' ' ILE . 2.8 tttt -56.91 -28.08 61.57 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 31' ' ' LYS . . . -65.59 -34.42 78.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.191 -0.943 . . . . 0.0 109.605 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -74.74 -48.29 26.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 109.687 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 33' ' ' LYS . 4.8 mt -50.77 -32.92 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.246 -0.909 . . . . 0.0 109.452 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -51.51 69.5 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -66.42 -87.53 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.27 -0.893 . . . . 0.0 109.573 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.931 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_